bromomethane

• ChemBase ID: 126259
• Molecular Formular: CH3Br
• Molecular Mass: 94.93852
• Monoisotopic Mass: 93.9418121
• SMILES: CBr
• Canonical SMILES: CBr
• InChI: InChI=1S/CH3Br/c1-2/h1H3
• InChIKey: GZUXJHMPEANEGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bromomethane
• IUPAC Traditional name: methyl bromide
• Synonyms: Methyl bromide; Bromomethane; Bromomethane; Bromomethane solution; 甲基溴; 溴甲烷; 甲基 溴化物; 溴甲烷 溶液

Database IDs

• CAS Number: 74-83-9
• EC Number: 200-813-2; 200-659-6
• MDL Number: MFCD00000166
• Beilstein Number: 1209223
• PubChem SID: 24857788; 24884432; 24860533; 24871979; 24857742; 162220598
• PubChem CID: 6323
• CHEBI ID: 39275
• CHEMBL: 48339
• Chemspider ID: 6083
• Gmelin ID: 916
• KEGG ID: C18447
• MeSH Name: methyl+bromide
• Wikipedia Title: Bromomethane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.02151
• LogD (pH = 7.4): 1.02151
• Log P: 1.02151
• Molar Refractivity: 14.2958 cm^3
• Polarizability: 5.54935 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 15.22 g L^-1 in water
• Apperance: Colorless gas
• Melting Point: -93.66°C; -94 °C(lit.)
• Boiling Point: 3.45°C (276.6K); 4 °C(lit.)
• Flash Point: <-30 °C; 11 °C; -29.2 °F; -34 °C; -40 °C; -40 °F; 51.8 °F
• Auto Ignition Point: 535 °C; 996 °F
• Density: 0.83 g/mL at 25 °C; 0.86 g/mL at 25 °C; 1.73 g/mL at 20 °C; 3.3 g/mL at 25 °C(lit.); 3.974 mg mL^-1 (at 20 °C)
• Vapor Pressure: 1420 mmHg ( 20 °C); 190 kPa (at 20 °C); 3945 mmHg ( 55 °C)
• Vapor Density: 3.3 (20 °C, vs air)
• Partition Coefficient: 1.3
• Odor: Chloroform
• Std enthalpy of formation: -35.1–-33.5 kJ mol^-1

Safety Information

• RTECS: PA4900000
• European Hazard Symbols: Flammable (F); Nature polluting (N); Toxic (T); Harmful (Xn)
• UN Number: 1062; 1230; 3384
• German water hazard class: 1; 3
• Hazard Class: 2.3; 6.1
• Packing Group: 1; 2
• Risk Statements: 11-19-20/22-36/37/38-48/20-50-59-68; 11-20/22-38-48/20-50-59-68; 11-23/24/25-39/23/24/25; 23/25-36/37/38-48/20-50-59-68; R23/25, R36/37/38, R48/20, R50, R59, R68
• Safety Statements: 15-27-36/39-38-45-59-61; 16-26-36/37-59-61; 16-36/37-59-61; 7-16-36/37-45; S1/2, S15, S27, S36/39, S38, S45, S59, S61
• EU Index: 602-002-00-2
• GHS Pictograms: GHS02; GHS06; GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• NFPA704:
  

  1

  3

  0
• Explode Limits: ~16 %; 8.6–20%
• GHS Hazard statements: H225-H301 + H311 + H331-H370; H225-H302 + H332-H315-H319-H335 + H336-H341-H373-H400-H420; H225-H302 + H332-H315-H319-H341-H373-H400-H420; H280-H301 + H331-H315-H319-H335-H341-H373-H400-H420
• GHS Precautionary statements: P210-P260-P280-P301 + P310-P311; P210-P261-P273-P281-P305 + P351 + P338; P210-P273-P281-P305 + P351 + P338; P261-P273-P281-P301 + P310-P305 + P351 + P338-P311
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US); Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1062 2.3; UN 1230 2.3/PG 2; UN 3384 6.1/PG 1
• Supplemental Hazard Statements: May form explosive peroxides.
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥99.5%; ≥99.5% (GC)
• Concentration: 2.0 M in diethyl ether; 2.0 M in tert-butyl methyl ether; 200 μg/mL in methanol
• Grade: analytical standard; analytical standard, for environmental analysis; anhydrous; purum
• Packaging: ampule of 1 mL
• Impurities: <0.005% water
• Quality: ampule
• Empirical Formula (Hill Notation): CH3Br

DETAILS

Sigma Aldrich - 65952

Other Notes
Sales restrictions may apply
Packaging
Cylinder with net ~3 kg

Sigma Aldrich - 338281

Packaging
200 mL in Sure-Pac™
Application
Please view www.aldrich.com/epaods regarding the EPA′s request for application information of Ozone Depleting Substances
Recommended products
Angled septum-inlet adapter Z118206 or straight septum-inlet adapter, 6mm I.D. inlet, Z118141 or straight septum-inlet adapter, 13mm I.D. inlet, Z118192 is recommended.

Sigma Aldrich - 294845

Packaging
200 mL in Sure-Pac™
Application
Please view www.aldrich.com/epaods regarding the EPA′s request for application information of Ozone Depleting Substances
Recommended products
Angled septum-inlet adapter Z118206 or straight septum-inlet adapter, 6mm I.D. inlet, Z118141 or straight septum-inlet adapter, 13mm I.D. inlet, Z118192 is recommended.

Sigma Aldrich - 295485

Packaging
454 g in steel cylinder
Application
Please view www.aldrich.com/epaods regarding the EPA′s request for application information of Ozone Depleting Substances
Recommended products
Brass control valve Z146943 or either of brass regulators Z146706 and Z146714 is recommended.

Sigma Aldrich - 65950

Other Notes
Sales restrictions may apply

Sigma Aldrich - 65954

Other Notes
Sales restrictions may apply
Packaging
Cylinder with net ~10 kg

Sigma Aldrich - 32815

General description
Certan Vial
for EU only, for US: Supelco 48624