bromo(chloro)methane

• ChemBase ID: 106207
• Molecular Formular: CH2BrCl
• Molecular Mass: 129.38358
• Monoisotopic Mass: 127.90283974
• SMILES: ClCBr
• Canonical SMILES: ClCBr
• InChI: InChI=1S/CH2BrCl/c2-1-3/h1H2
• InChIKey: JPOXNPPZZKNXOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(chloro)methane
• IUPAC Systematic name: Bromo(chloro)methane
• IUPAC Traditional name: bromochloromethane
• Synonyms: CHLOROBROMOMETHANE; Bromochloromethane; Borothene; Chloromethyl bromide; Halon 1011; Methylene bromochloride; Methylene chlorobromide; Monochloromonobromomethane; Bromochloromethane; BROMOCHLOROMETHANE, CERTIFIED GRADE; 溴氯甲烷

Database IDs

• CAS Number: 74-97-5
• EC Number: 200-826-3
• MDL Number: MFCD00000880
• Beilstein Number: 1730801
• PubChem SID: 162087673; 24863036; 24848073; 24867875
• PubChem CID: 6333
• CHEBI ID: 17194
• CHEMBL: 346918
• Chemspider ID: 6093
• Gmelin ID: 25577
• KEGG ID: C02661
• MeSH Name: bromochloromethane
• Wikipedia Title: Bromochloromethane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.1262904
• LogD (pH = 7.4): 1.1262904
• Log P: 1.1262904
• Molar Refractivity: 19.2549 cm^3
• Polarizability: 7.543728 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 16.7 g L^-1 in water
• Apperance: Colorless liquid
• Melting Point: -87.95°C (185.2K); -88 °C; -88 °C(lit.); -88°C
• Boiling Point: 67.85°C (341K); 68 °C; 68 °C(lit.); 68°C
• Density: 1.934 at 20 °C (water = 1); 1.934 g/ml; 1.991 g mL^-1; 1.991 g/mL at 25 °C(lit.)
• Refractive Index: 1.482; n20/D 1.482(lit.)
• Vapor Pressure: 117 mm Hg at 20 °C, 155-160 mm Hg at 25 °C; 117 mmHg ( 20 °C); 15.60 kPa (at 20.0 °C)
• Vapor Density: 4.49 (air = 1); 4.5 (vs air)
• Partition Coefficient: 1.55

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: PA5250000
• European Hazard Symbols: Nature polluting (N); Toxic (T); Harmful (Xn)
• UN Number: 1887
• German water hazard class: 2
• Hazard Class: 6.1
• Packing Group: 3; III
• Australian Hazchem: 2Z
• Risk Statements: 20-36/38-41-59; R:25; r37/38, r41, r59
• Safety Statements: 26-39-59; S:28-36/37/39-45-53; s26, s39
• EU Classification: T1
• EU Hazard Identification Number: 6.1B
• Emergency Response Guidebook(ERG) Number: 160
• GHS Pictograms: GHS corrosion; GHS exclamation mark; GHS05; GHS07
• GHS Signal Word: DANGER; Danger
• LD50: 20 g kg^-1 (dermal, rabbit); 5 g mol^-1 (oral, rat)
• GHS Hazard statements: 315, 318, 332, 335; H315-H318-H332-H335-H420
• GHS Precautionary statements: 261, 280, 305+351+338; P261-P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1887 6.1/PG 3

Product Information

• Purity: ≥99.5%
• Grade: analytical standard; analytical standard, for environmental analysis
• Packaging: ampule of 500 mg
• Contains: 50 ppm BHT as inhibitor (may contain up to)
• Quality: amylene stabilized
• Linear Formula: BrCH2Cl

DETAILS

MP Biomedicals - 05203804

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 135267

Packaging
500 mL in glass bottle