Dibromomethane

HCID 3024CAS 4371-77-1

基本情報

標準SMILES
BrCBr
InChIKey
FJBFPHVGVWTDIP-UHFFFAOYSA-N
分子式
CH2Br2
平均分子量
173.83 g/mol
単同位体質量
171.85232426

概要

Dibromomethane appears as a colorless liquid with a pleasant odor. Insoluble in water and denser than water. May be toxic by ingestion. Used as a solvent and as a motor fuel.

名称と識別子

優先名称
Dibromomethane
IUPAC
dibromomethane
英語名
Dibromo methane
分子式
CH2Br2
分子量
0

名称と別名

dibromomethane74-95-3Methylene bromideMethylene dibromideMethane, dibromo-CH2Br2DibrommethanMethylenbromidDTXSID4021557NSC-7293V69B659W01DTXCID401557
名称をさらに表示
CHEBI:47077RefChem:586495200-824-2DibromomethyleneRCRA waste number U068dibromo-methaneMFCD000001681,1-dibromomethane

データベース識別子

CAS
4371-77-1、74-95-3
PubChem CID
3024
DTXSID
DTXSID4021557
ChEMBL
CHEMBL1229889
ChEBI
CHEBI:47077
UNII
V69B659W01
EC Number
200-824-2
Nikkaji
J1.433H

物性

構造計算による物性

XLogP
1.8
極性表面積
0 Ų
水素結合供与体数
0
水素結合受容体数
0
回転可能結合数
0
重原子数
3

実験および物理化学的性質

SolventsSolvents -> Brominated Solvents
SpringerMaterials PropertiesCoriolis coupling
PesticidesVolatile Organic Compound (VOC) (Pesticide/Volatile Organic Compound (VOC))
LogP · 2 件

log Kow = 1.70

1.88 (estimated)

Density · 4 件

2.497 at 68 °F (USCG, 1999) - Denser than water; will sink

2.4969 g/cc @ 20 °C

Relative density (water = 1): 2.5

2.497 @ 20°C

Viscosity · 2 件

1.320 mPa @ 0 °C; 0.980 mPa @ 25 °C

0.39 mm²/s at 25 °C

物理化学的性質

融点
-52.5 °C · -52.5 °C
沸点
97 °C · 97 °C
比重(密度)
2.4969 g/cm3 · 2.4969 g/cm3

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H332: Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P271, P273, P304+P340, P317, and P501 (click each P-code to see the statement)

Danger

H301 (22.4%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P270, P271, P273, P301+P316, P304+P340, P317, P321, P330, P405, and P501 (click each P-code to see the statement)

危険有害性情報

Regulatory Information · 5 件

Chemical: Methane, dibromo-

Methane, dibromo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Methane, dibromo- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 23-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/24154

Dibromomethane: 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 LabelPoison
Fire Hazards · 3 件

Special Hazards of Combustion Products: Dissociation products generated in a fire may be irritating or toxic. (USCG, 1999)

· Some of these materials may burn, but none ignite readily.

Not combustible. Gives off irritating or toxic fumes (or gases) in a fire. Heating will cause rise in pressure with risk of bursting. Risk of fire and explosion. See Chemical Dangers.

Fire PotentialNOT FLAMMABLE BY STANDARD TEST IN AIR
Health Hazards · 2 件

INHALATION: Anesthetic effects, nausea and drunkenness. CONTACT WITH SKIN AND EYES: Skin irritation of eyes and nose. (USCG, 1999)

· Toxic by ingestion.

Hazards Summary · 1 件

In laboratory studies, animals experienced CNS depression at 2400-2800 ppm and liver and kidney damage after repeated exposures to 1000 ppm. [CHEMINFO] Dichloromethane seldom causes hepatotoxicity unless exposure is very heavy or agent ingested. [Zimmerman, p. 333] If left on clothes, may cause reddening of skin; [CHRIS] May have effects on nervous system and blood, causing impaired functions, carboxyhemoglobinemia, and lowering of consciousness; Chronic exposure may cause liver and kidney effects; [ICSC] An irritant; Harmful by inhalation; A simple asphyxiant; May cause blood disorders, cardiac irregularities, and CNS depression; [Sigma-Aldrich MSDS]

安全と保護具

Fire Fighting · 2 件

Excerpt from ERG Guide 160 [Halogenated Solvents]:

In case of fire in the surroundings, use appropriate extinguishing media. In case of fire: keep drums, etc., cool by spraying with water.

First Aid Measures · 4 件

Fresh air, rest. Administration of oxygen may be needed. Artificial respiration may be needed. Refer for medical attention.

Remove contaminated clothes. Rinse and then wash skin with water and soap.

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 件

· 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 件

INHALATION: Remove from exposure. Give oxygen if needed.

General First Aid:

Safe StorageSeparated from food and feedstuffs, strong oxidants, strong bases and metals. Do NOT store or transport in containers made from aluminium or plastic. Ventilation along the floor.
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).

毒性情報

Treatment · 1 件

EYES: irrigate opened eyes for several minutes under running water. INGESTION: do not induce vomiting. Rinse mouth with water (never give anything by mouth to an unconscious person). Seek immediate medical advice. SKIN: should be treated immediately by rinsing the affected parts in cold running water for at least 15 minutes, followed by thorough washing with soap and water. If necessary, the person should shower and change contaminated clothing and shoes, and then must seek medical attention. INHALATION: supply fresh air. If required provide artificial respiration.

InteractionsTreatment of Sprague-Dawley rats with SKF 525-A (39 mg/kg) or diethyl maleate (0.6 ml/kg) 30 min prior to ip admin of 3 mmol/kg dibromomethane resulted in decreased blood carbon monoxide levels.
Health Effects · 1 件

Bromine vapour causes irritation and direct damage to the mucous membranes. Elemental bromine also burns the skin. The bromide ion is a central nervous system depressant and chronic exposure produces neuronal effects. This is called bromism and can result in central reactions reaching from somnolence to coma, cachexia, exicosis, loss of reflexes or pathologic reflexes, clonic seizures, tremor, ataxia, loss of neural sensitivity, paresis, papillar edema of the eyes, abnormal speech, cerebral edema, delirium, aggressiveness, and psychoses. (L625, L626, L627)

Environmental Fate · 3 件

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 24(SRC), determined from a structure estimation method(2), indicates that dibromomethane is expected to have very high mobility in soil(SRC). Volatilization of dibromomethane from moist soil surfaces is expected to be an important fate process(SRC) given a Henry's Law constant of 8.22X10-4 atm-cu m/mole(3). The potential for volatilization of dibromomethane from dry soil surfaces may exist based upon a vapor pressure of 44.4 mm Hg (4). Biodegradation potential in soil is unknown(SRC).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 24(SRC), determined from an estimation method(2), indicates that dibromomethane is not expected to adsorb to suspended solids and sediment in water(SRC). Volatilization from water surfaces is expected(3) based upon a Henry's Law constant of 8.22X10-4 atm-cu m/mole(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 2 hours and 6 days, respectively(SRC). Biodegradation potential in water is unknown(SRC). According to a classification scheme(5), an estimated BCF of 4(SRC), from its log Kow of 1.70(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low. The rate constant for the aqueous-phase reaction of dibromomethane with hydroxyl radicals is 9.9X10+7(8). This corresponds to a half-life of about 22 years at an aqueous concn of 1X10-17 mole/L hydroxyl radicals cm.

ATMOSPHERIC FATE: According to a model of gas partitioning of semivolatile organic compounds in the atmosphere(1), dibromomethane, which has a vapor pressure of 44.4 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase dibromomethane is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 142 days(SRC), calculated from its rate constant of 1.13X10-13 cu cm/molecule-sec at 25 °C(3). The ozone depleting potential and atmospheric lifetime for dibromomethane have been calculated as 0.17 and 0.41 years, respectively(3). Dibromomethane is very soluble in water (11,900 g/l at 30 °C(4)) and therefore it should be readily scavenged by rain and snow(SRC).

Adverse EffectsNeurotoxin - Acute solvent syndrome
Exposure Routes · 2 件

The substance can be absorbed into the body by inhalation, by ingestion and through the skin.

Oral (L626) ; inhalation (L626) ; dermal (L626)

法規制情報

RCRA Requirements · 1 件

U068; As stipulated in 40 CFR 261.33, when methylene bromide, as a commercial chemical product or manufacturing chemical intermediate or an off-specification commercial chemical product or a manufacturing chemical intermediate, becomes a waste, it must be managed according to Federal and/or State hazardous waste regulations. Also defined as a hazardous waste is any residue, contaminated soil, water, or other debris resulting from the cleanup of a spill, into water or on dry land, of this waste. Generators of small quantities of this waste may qualify for partial exclusion from hazardous waste regulations (40 CFR 261.5).

TSCA Requirements · 1 件

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. Dibromomethane is included on this list.

CERCLA Reportable Quantities · 1 件

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 1000 lb or 454 kg. The toll free number of the NRC is (800) 424-8802; In the Washington D.C. metropolitan area (202) 426-2675. The rule for determining when notification is required is stated in 40 CFR 302.4 (section IV. D.3.b).

Clean Water Act RequirementsToxic pollutant designated pursuant to section 307(a)(1) of the Federal Water Pollution Control Act and is subject to effluent limitations. /Halomethanes/
State Drinking Water Guidelines(FL) FLORIDA 70 ug/l

安全データ

ridadr
UN 2664
hazard_class
6.1
packing_group
III

化学と産業

薬理情報

Biological Half-Life... REPEATED 6 HR EXPOSURES /OF DOGS/ TO EITHER 25, 75, OR 150 PPM /METHYLENE BROMIDE/ FOR 90 DAYS. PLASMA CLEARANCE WAS AT LEAST BIPHASIC WITH ILL DEFINED ALPHA PHASE & A TERMINAL PHASE (HALF LIFE 103 + OR - 14 MIN) @ ALL 3 CONCN.
Metabolism/Metabolites · 6 件

IT IS METABOLIZED TO CARBON MONOXIDE AND BROMIDE.

MASS SPECTRAL STUDIES USING (18)O2 SHOWED THAT (18)O-CO WAS PRODUCED INDICATING THAT OXYGEN WAS INCORPORATED DURING THE REACTION. A PRIMARY DEUTERIUM ISOTOPE EFFECT WAS OBSERVED FOR CONVERSION OF DICHLOROMETHANE TO CARBON MONOXIDE BOTH BY LONG-EVANS RAT HEPATIC MICROSOMAL FRACTIONS & BY STANNOUS PHOSPHATE MODEL SYSTEM. INCUBATION OF DIBROMOMETHANE IN THE MODEL SYSTEM IN THE PRESENCE OF 3,4-DIMETHYLANILINE RESULTED IN FORMATION OF 3,4-FORMOXYLIDIDE, SUPPORTING THE INTERMEDIACY OF A FORMYL HALIDE. A MECHANISM FOR THE METABOLISM OF DIHALOMETHANES TO CARBON MONOXIDE IS PROPOSED.

Halogenated methanes, in particular the brominated homologs, including dibromomethane and tribromomethane were subjected to biochemical decomposition in vitro by the cytochrome p450 rich fraction of the monooxygenase liver system. No significant contribution of GSH addition to the overall rate of metabolism of the halogenated methanes could be observed.

Treatment of Sprague-Dawley rats with sodium phenobarbital (50 mg/kg in 0.9% saline for 4 days) or 3-methylcholanthrene (20 mg/kg in corn oil for 2 days) resulted in increased metabolism of dibromomethane (3 m mol/kg) to carbon monoxide.

Biotransformation of dihalomethanes leads to dehalogenation & end product is carbon monoxide. In the case of dichloromethane the carbon monoxide appears to arise from formyl halide. This intermediate, as an alternative to losing carbon monoxide, can covalently bind to cellular protein or lipid. The involvement of nonmicrosomal enzymes in dihalomethane biotransformation leads to prodn of formaldehyde & halide. A necessary step is the reaction of dihalomethane with glutathione, which results in loss of one halide. The resulting halomethylglutathione is postulated to undergo nonenzymatic hydrolytic dehalogenation leaving hydroxymethylglutathione. The next step would result in the release of the hydroxymethyl group as formaldehyde. Alternatively it has been shown that in the presence of formaldehyde dehydrogenase & NAD /nicotinamide-adenine dinucleotide/ formic acid can be formed. /Dichloromethane/

Bromine is mainly absorbed via inhalation, but may also enter the body through dermal contact. Bromine salts can be ingested. Due to its reactivity, bromine quickly forms bromide and may be deposited in the tissues, displacing other halogens. (L626)

MeSH Pharmacological ClassificationChemical agents that increase the rate of genetic mutation by interfering with the function of nucleic acids. A clastogen is a specific mutagen that causes breaks in chromosomes.
Absorption, Distribution and ExcretionIT ... DOES NOT APPEAR TO BE ABSORBED SIGNIFICANTLY EVEN WHEN APPLIED REPEATEDLY /TO EYES AND SKIN OF RABBITS/.

用途と製造

Uses · 5 件

Used as a chemical intermediate and a solvent for fats, waxes, and resins; [HSDB] Produced in nature by microalgae commonly found along beaches and coastlines; Used as an intermediate, solvent for chemical manufacture, gauge fluid, and in fire extinguishing fluids; [Reference #1]

Organic synthesis, solvent

SOLVENT FOR FATS, WAXES, & RESINS; HEAVY LIQUID IN SOLID SEPARATIONS; INGREDIENT OF FIRE EXTINGUISHING FLUIDS; GAGE FLUID

Solvent, as a gauge fluid, and in producing pesticides...can be used as dense, readily volatile media for mineral and salt separations.

It may be produced synthetically or naturally by marine algae. Dibromomethane is used as a solvent, gage fluid and in organic synthesis. Diatomic bromine does not occur naturally, but bromine salts can be found in crustal rock.

U.S. Production · 3 件

2023: 1,000,000 - <5,000,000 lb

(1972) PROBABLY GREATER THAN 4.54X10+5 G

(1975) PROBABLY GREATER THAN 4.54X10+5 G

Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesNot Known or Reasonably Ascertainable
Methods of Manufacturing · 3 件

Manufactured along with bromochloromethane, from dichloromethane: Lake, Asadorian, US patent 2,553,518 (1951 to Dow).

Prepn: Hartman, Dreger Org Synth Coll Vol 1, 357 (1941)

Reaction of dichloromethane with anhydrous aluminum bromide, treatment with bromine and aluminum, or by reaction with hydrogen bromide in the presence of an aluminum halide catalyst...allowing the reaction to proceed to completion.

General Manufacturing Information · 3 件

Pharmaceutical and Medicine Manufacturing

Methane, dibromo-: ACTIVE

A laboratory preparation involves removing a bromine from bromoform using sodium arsenite.

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