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Acetyl bromide

HCID 178762482
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Grundinformationen

CAS
506-97-7
Standard-SMILES
CC(=O)Br
InChIKey
FXXACINHVKSMDR-UHFFFAOYSA-N
Summenformel
C2H3BrO
Durchschnittliche Molmasse
122,95 g/mol

Überblick

Acetyl bromide appears as a colorless fuming liquid with a pungent odor. Vapors irritate eyes and mucous membranes. Corrosive to metals and tissue. Density 13.9 lb / gal.

Namen und Bezeichner

Bevorzugter Name
Acetyl bromide
IUPAC
acetyl bromide

Namen und Synonyme

ACETYL BROMIDE506-96-7Ethanoyl bromideAcetic acid, bromideUN1716O18V5XYO0GDTXSID5060140UN-1716RefChem:109047DTXCID7040869208-061-7Acetylbromide
Weitere Namen anzeigen
C2H3BrOCH3COBrAcetyl bromide-2-13CAcetyl bromide-1-13CMFCD0000011474787-38-5acetic acid bromideHSDB 663

Datenbank-Bezeichner

CAS
506-97-7
UNII
O18V5XYO0G
EC Number
208-061-7、693-093-8
Nikkaji
J2.611E

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,8
Polarare Oberfläche (TPSA)
17,1 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
0
Schwere Atome
4
Formalladung
0
Komplexität
33

Experimentelle und physikochemische Eigenschaften

Chemical Classes · 2 Einträge

Toxic Gases & Vapors -> Acid Halides

Corrosives

SpringerMaterials PropertiesSchoenflies notation
Odor · 2 Einträge

Sharp unpleasant odor

Pungent odor

Density · 6 Einträge

1.66 at 60.8 °F (USCG, 1999) - Denser than water; will sink

Density: 1.52 at 9 °C

Saturated liquid density: 103.599 lb/cu ft at 70 °F

Vapor specific gravity: 4.24; Saturated vapor density: 0.04488 lb/cu ft at 70 °F

Relative density (water = 1): 1.5

1.66 @ 20°C

Color/Form · 2 Einträge

Fuming liquid

Colorless fuming liquid

Solubility · 5 Einträge

Violently decomposed by water or alcohol

Miscible with ether, chloroform, benzene

Soluble in ether, chloroform, benzene

Miscible with ether, benzene, chloroform; soluble in acetone

Solubility in water: reaction

Corrosivity · 2 Einträge

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 51 reports by companies from 8 notifications to the ECHA C&L Inventory.

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

Gefahrenhinweise

Hazards IdentificationWater-reactive material (WR)
Regulatory Information · 4 Einträge

Chemical: Acetyl bromide

Status: Active Update: 06-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/16238

Acetyl bromide: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

DOT LabelCorrosive
Fire Hazards · 3 Einträge

Special Hazards of Combustion Products: Toxic and irritating hydrogen bromide fumes may form in fires.

· Combustible material: may burn but does not ignite readily.

Combustible. Gives off irritating or toxic fumes (or gases) in a fire.

Fire PotentialThis chemical is a combustible liquid, but does not ignite readily.
Health Hazards · 2 Einträge

Chemie und Industrie

Verwendung und Herstellung

Uses · 3 Einträge

Used in organic synthesis; [HSDB]

Toxic Gas from Spilling Chemical in Water [Category: Other]

Organic synthesis, dye manufacture.

Methods of Manufacturing · 2 Einträge

Prepared from phosphorus tribromide and glacial acetic acid or acetic anhydride ... .

Interaction of acetic acid and phosphorus pentabromide.

Formulations/PreparationsGrade: Technical
General Manufacturing InformationAcetyl bromide: ACTIVE

Anbieter1 Anbieter

kemikalieimport[email protected]

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Corrosive

Corrosive to metals and tissue

Flash Point · 2 Einträge

110 °C (230 °F) - closed cup

75 °C

Boiling Point · 4 Einträge

169 °F at 760 mmHg (USCG, 1999)

74 °C

76 °C

76.7 °C @760 [mm Hg]

Decomposition · 3 Einträge

Hazardous decomposition products formed under fire conditions - Carbon oxides, hydrogen bromide gas.

When heated to decomposition it emits highly corrosive and toxic fumes of carbonyl bromide and bromine.

Violently decomposed by water, or by alcohol.

Melting Point · 4 Einträge

-141.7 °F (USCG, 1999)

-95.5 °C

-96 °C

-96.5 °C

Vapor DensityRelative vapor density (air = 1): 4.2

Inhalation produces primary irritation of the respiratory tract; symptoms of lung damage may be delayed. Contact with liquid produces primary irritation of eyes and severe skin damage; delayed blistering is not uncommon. INGESTION: Sore throat, abdominal pain, and vomiting. (USCG, 1999)

· TOXIC and/or CORROSIVE; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death.

Hazards SummarySkin contact can cause blisters; Inhalation can cause acute pneumonitis; [CAMEO] See the Process, Toxic Gas from Spilling Chemical in Water.
DOT ID and Guide1716 156
Reactive GroupAcyl Halides, Sulfonyl Halides, and Chloroformates
UN ClassificationUN Hazard Class: 8; UN Pack Group: II
TSCA Requirements · 1 Eintrag

Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. Acetyl bromide is included on this list. Effective date: 6/1/87; Sunset date: 12/19/95.

Reactivity AlertsWater-Reactive

Sicherheit und Schutzausrüstung

Fire Fighting · 2 Einträge

Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:

Use foam, powder, carbon dioxide, dry sand. NO water. In case of fire: keep drums, etc., cool by spraying with water. NO direct contact with water.

First Aid Measures · 4 Einträge

Fresh air, rest. Half-upright position. Artificial respiration may be needed. Refer for medical attention.

Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer for medical attention .

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Do NOT induce vomiting. Refer for medical attention .

Accidental Release Measures · 2 Einträge

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 2 Einträge

INHALATION: remove victim from exposure; if breathing has stopped, give artificial respiration; if breathing is difficult, give oxygen; watch for delayed lung damage.

General First Aid:

Safe StorageSeparated from food and feedstuffs. See Chemical Dangers. Dry. Well closed. Ventilation along the floor.
Firefighting HazardsVapors are heavier than air and will collect in low areas. Vapors in confined areas may explode when exposed to fire.
Exposure Control and Personal Protection · 2 Einträge

· Wear positive pressure self-contained breathing apparatus (SCBA).

TIH (Toxic Inhalation Hazard) - Term used to describe gases and volatile liquids that are toxic when inhaled. Some are TIH materials themselves, e.g., chlorine, and some release TIH gases when spilled in water, e.g., chlorosilanes. [ERG 2016].

Fire Fighting Procedures · 5 Einträge

Suitable extinguishing media: Dry powder.

Advice for firefighters: Wear self-contained breathing apparatus for firefighting if necessary.

To fight fire, use dry chemical, /carbon dioxide/.

Reacts violently with water-based extinguishers, such as foam. Do not use water or foam extinguishers. Use dry chemical or carbon dioxide extinguishers. ... If material or contaminated runoff enters waterways, notify downstream users of potentially contaminated waters. Notify local health and fire officials and pollution control agencies. From a secure, explosion-proof location, use water spray to cool exposed containers. If cooling streams are ineffective (venting sound increases in volume and pitch, tank discolors, or shows any signs of deforming), withdraw immediately to a secure position. ... The only respirators recommended for firefighting are self-contained breathing apparatuses that have full face-pieces and are operated in a pressure-demand or other positive-pressure mode.

If material on fire or involved in fire: Use dry chemical or carbon dioxide. Do not use water on material itself. If large quantities of combustibles are involved, use water in flooding quantities as spray and fog. Use water spray to knock-down vapors. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible.

Storage Conditions · 3 Einträge

Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage. Never allow product to get in contact with water during storage. Storage class (TRGS 510): 8A: Combustible, corrosive hazardous materials.

Store separately in a corrosion-resistant location. ... Store in a secure poison location. Prior to working with this chemical you should be trained on its proper handling and storage. Store in tightly closed containers in a cool, well-ventilated area away from moisture and sunlight. Where possible, automatically pump liquid from drums or other storage containers to process containers. Drums must be equipped with self-closing valves, pressure vacuum bungs, and flame arresters. Use only nonsparking tools and equipment, especially when opening and closing containers of this chemical. Sources of ignition, such as smoking and open flames, are prohibited where this chemical is used, handled, or stored in a manner that could create a potential fire or explosion hazard.

Protect from water.

Cleanup Methods · 5 Einträge

ACCIDENTAL RELEASE MEASURES: Personal precautions, protective equipment and emergency procedures: Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Environmental precautions: Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided. Methods and materials for containment and cleaning up: Soak up with inert absorbent material and dispose of as hazardous waste. Do not flush with water. Keep in suitable, closed containers for disposal.

Prevent liquid from reaching water if possible. This material creates large amounts of toxic hydrogen bromide (HBr) vapor when spilled in water, and is considered by the North American Emergency Response Guide to be dangerous from 0.5 to 10 km (0.3-6.0 miles downwind). Enter area from upwind side. Evacuate area and issue warning of danger, including possible explosion. Evacuate and restrict persons not wearing protective equipment from area of spill or leak until cleanup is complete. Remove all ignition sources. Absorb liquids using dry lime or soda ash. Do not use water or wet method. Ventilate area of spill or leak after cleanup is complete. It may be necessary to contain and dispose of this chemical as a hazardous waste. If material or contaminated runoff enters waterways, notify downstream users of potentially contaminated waters. ... Initial isolation and protective action distances: Distances shown are likely to be affected during the first 30 min after materials are spilled and could increase with time. If more than one tank car, cargo tank, portable tank, or large cylinder involved in the incident is leaking, the protective action distance may need to be increased. You may need to seek emergency information from CHEMTREC ... or seek professional environmental engineering assistance from the US EPA Environmental Response Team ... . Small spills (From a small package or a small leak from a large package), when spilled in water: First: Isolate in all directions (100 feet/30 meters). Then: Protect persons downwind - Day 0.1 mi/0.2 km, Night 0.2 mi/0.3 km). Large spills (From a large package or from many small packages): First: Isolate in all directions (200 feet/60 meters). Then: Protect persons downwind - Day 0.4 mi/0.6 km, Night 1.1 mi/1.8 km.

Environmental considerations - Water spill: If dissolved, in region of 10 ppm or greater concentration, apply activated carbon at ten times the spilled amount. Adjust pH to neutral (pH=7). Use mechanical dredges or lifts to remove immobilized masses of pollutants and precipitates.

Environmental considerations - Air spill: Apply water spray or mist to knock down vapors. Vapor knockdown water is corrosive or toxic and should be diked for containment.

Environmental considerations - Land spill: Dig a pit, pond, lagoon, holding area to contain liquid or solid material. /SRP: If time permits, pits, ponds, lagoons, soak holes, or holding areas should be sealed with an impermeable flexible membrane liner./ Dike surface flow using soil, sand bags, foamed polyurethane, or foamed concrete. Absorb bulk liquid with fly ash or cement powder.

Nonfire Spill ResponseExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Disposal Methods · 3 Einträge

SRP: Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in air, soil or water; effects on animal, aquatic and plant life; and conformance with environmental and public health regulations. If it is possible or reasonable use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination.

SRP: Wastewater from contaminant suppression, cleaning of protective clothing/equipment, or contaminated sites should be contained and evaluated for subject chemical or decomposition product concentrations. Concentrations shall be lower than applicable environmental discharge or disposal criteria. Alternatively, pretreatment and/or discharge to a permitted wastewater treatment facility is acceptable only after review by the governing authority and assurance that "pass through" violations will not occur. Due consideration shall be given to remediation worker exposure (inhalation, dermal and ingestion) as well as fate during treatment, transfer and disposal. If it is not practicable to manage the chemical in this fashion, it must be evaluated in accordance with EPA 40 CFR Part 261, specifically Subpart B, in order to determine the appropriate local, state and federal requirements for disposal.

Product: Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed professional waste disposal service to dispose of this material. Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber; Contaminated packaging: Dispose of as unused product.

Toxikologische Informationen

Ecotoxicity ValuesLC50; Species: Pimephales promelas (Fathead minnow); Conditions: freshwater, static; Concentration: 40.6 mg/L for 96 hr (95% confidence interval: 31.4-54.2 mg/L)
Environmental Fate · 3 Einträge

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 1(SRC), determined from a structure estimation method(2), indicates that acetyl bromide is expected to have very high mobility in soil(SRC). In view of its violent decomposition in the presence of water(3) and the high reactivity of structurally-similar compounds with active hydrogen groups which occur in soil(4), it is unlikely that acetyl bromide would persist for long in moist soils(SRC). Acetyl bromide is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 122 mm Hg at 25 °C(5). Biodegradation data in soil were not available(SRC, 2018).

AQUATIC FATE: Acetyl bromide decomposes violently in the presence of water(1) and, therefore, will not persist in the aquatic environment(SRC). Adsorption to sediment, volatilization, bioconcentration in aquatic species or biodegradation are not expected because of the very short lifetime of this compound in water(SRC).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), acetyl bromide, which has a vapor pressure of 122 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase acetyl bromide may be degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 5 years(SRC), calculated from its rate constant of 9.1X10-15 cu cm/molecule-sec at 25 deg(SRC) determined using a structure estimation method(3). Acetyl bromide contains chromophores that absorb at wavelengths >290 nm(3) and, therefore, may be susceptible to direct photolysis by sunlight(SRC).

Adverse EffectsDermatotoxin - Skin burns.
Exposure RoutesThe substance can be absorbed into the body by inhalation of its vapour and by ingestion.
Toxicity Summary · 1 Eintrag

IDENTIFICATION AND USE: Acetyl bromide is a colorless fuming liquid. It is used in organic synthesis and dye manufacture. HUMAN STUDIES: It could cause severe ocular damage if splashed in eye. However, in one instance of corneal burn, recovery is reported to have been complete in 48 hr. ANIMAL STUDIES: There are no data available.

Signs and Symptoms · 4 Einträge

Abdominal pain. Sore throat. Cough. Burning sensation. Shortness of breath. Laboured breathing. Symptoms may be delayed.

Pain. Redness. Blisters. Skin burns.

Pain. Redness. Severe deep burns. Loss of vision.

Burning sensation. Abdominal pain. Shock or collapse.

ICSC Environmental DataThe substance is harmful to aquatic organisms.
Soil Adsorption/Mobility · 1 Eintrag

Using a structure estimation method based on molecular connectivity indices(1), the Koc of acetyl bromide can be estimated to be 1(SRC). According to a classification scheme(2), this estimated Koc value suggests that acetyl bromide is expected to have very high mobility in soil(SRC). However, acetyl bromide will decompose violently in the presence of water(3). High reactivity of structurally-similar compounds such as acetyl chloride towards molecules with active hydrogen groups such as natural products containing amine, phenol, and alcohol functional groups that occur in soil has been reported(4). Therefore, it is unlikely that acetyl bromide would persist for long in moist soils(SRC).

Human Toxicity Excerpts · 2 Einträge

/SIGNS AND SYMPTOMS/ Strong irritant to eyes and skin.

/SIGNS AND SYMPTOMS/ ... Could cause severe ocular damage if splashed in eye. However, in one instance of corneal burn, recovery is reported to have been complete in 48 hr.

Artificial Pollution SourcesAcetyl bromide's production and use in organic synthesis and dye manufacture(1) may result in its release to the environment through various waste streams(SRC).
Environmental BioconcentrationAcetyl bromide will decompose violently in water(1). Because of its short half-life in water, bioconcentration of acetyl bromide in aquatic organisms is not an important evironmental fate process(SRC).
Volatilization from Water/Soil · 1 Eintrag

Acetyl bromide will decompose violently in water(1) forming gaseous hydrogen bromide(2), preempting volatilization from water or soil surfaces as an environmental fate process(SRC). For the same reason, volatilization from moist soil surfaces is very unlikely(SRC). The potential for volatilization of acetyl bromide from dry soil surfaces may exist(SRC) based upon a vapor pressure of 122 mm Hg(3).

Regulatorische Informationen

TSCA Requirements · 1 Eintrag

Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. Acetyl bromide is included on this list. Effective date: 6/1/87; Sunset date: 12/19/95.

CERCLA Reportable Quantities · 1 Eintrag

Persons in charge of vessels or facilities are required to notify the National Response Center (NRC) immediately, when there is a release of this designated hazardous substance, in an amount equal to or greater than its reportable quantity of 5000 lb or 2270 kg. The toll free number of the NRC is (800) 424-8802. The rule for determining when notification is required is stated in 40 CFR 302.4 (section IV. D.3.b).

Clean Water Act Requirements · 1 Eintrag

Acetyl bromide is designated as a hazardous substance under section 311(b)(2)(A) of the Federal Water Pollution Control Act and further regulated by the Clean Water Act Amendments of 1977 and 1978. These regulations apply to discharges of this substance. This designation includes any isomers and hydrates, as well as any solutions and mixtures containing this substance.

DHS Chemicals of Interest (COI) · 4 Einträge

Acetyl bromide

A Commercial Grade

A Placarded Amount

Chemical or material that can be mixed with readily available materials.