아세틸브로마이드-2-13C

Acetyl bromide

HCID 10482CAS 506-96-7

기본 정보

표준 SMILES
CC(=O)Br
InChIKey
FXXACINHVKSMDR-UHFFFAOYSA-N
분자식
C2H3BrO
평균 분자량
122.95 g/mol
단동위원소 질량
121.93672682

개요

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.

이름 및 식별자

우선 이름
Acetyl bromide
IUPAC
acetyl bromide
현지명
아세틸브로마이드-2-13C
영어명
ACETYL BROMIDE-2-13C
분자식
C2H3BrO
분자량
123.96

이름 및 동의어

ACETYL BROMIDE506-96-7Ethanoyl bromideAcetic acid, bromideUN1716O18V5XYO0GDTXSID5060140UN-1716RefChem:109047DTXCID7040869208-061-7Acetylbromide
이름 더 보기
아세틸브로마이드-2-13CAcetyl-2-13C bromideAcetyl -2-13C bromideacetyl-2-13C bromide. 99 atom % 13C
C2H3BrOCH3COBrAcetyl bromide-2-13CAcetyl bromide-1-13CMFCD0000011474787-38-5acetic acid bromideHSDB 663

데이터베이스 식별자

CAS
506-96-7、74787-38-5
PubChem CID
10482
DTXSID
DTXSID5060140
UNII
O18V5XYO0G
EC Number
208-061-7、693-093-8
Nikkaji
J2.611E

물성

구조 계산 물성

XLogP
0.8
극성 표면적
17.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
0
무거운 원자 수
4

실험 및 물리화학적 성질

Chemical Classes · 2건

Toxic Gases & Vapors -> Acid Halides

Corrosives

SpringerMaterials PropertiesSchoenflies notation
Odor · 2건

Sharp unpleasant odor

Pungent odor

Density · 6건

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 · 2건

Fuming liquid

Colorless fuming liquid

Solubility · 5건

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

물리화학적 성질

녹는점
96 °C · −96 °C(lit.)
끓는 점
75 · 75-77 °C(lit.)
밀도
1.677 g/mL · 1.677 g/mL at 25 °C
굴절률
20 · n20/D 1.45(lit.)
인화점
230 °F · >230 °F
InChI
1S/C2H3BrO/c1-2(3)4/h1H3/i1+1

안전 및 규제

GHS 분류

GHS Classification · 6건

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]

유해성 정보

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

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 · 3건

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 · 2건

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.

안전 및 보호

Fire Fighting · 2건

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 · 4건

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 · 2건

· 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 · 2건

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.

독성 정보

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 · 3건

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 · 1건

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 · 4건

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.

규제 정보

TSCA Requirements · 1건

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 · 1건

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 · 1건

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) · 4건

Acetyl bromide

A Commercial Grade

A Placarded Amount

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

안전 데이터

wgk
3
ridadr
UN 1716
risk_code
14-34-36/37
hazard_code
C
safety_code
26-27-28-36/37/39-45
포장분류
II

화학 및 산업

용도 및 제조

Uses · 3건

Used in organic synthesis; [HSDB]

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

Organic synthesis, dye manufacture.

Methods of Manufacturing · 2건

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

공급사50 곳

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