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74-83-9 molecular structure
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bromomethane

ChemBase ID: 126259
Molecular Formular: CH3Br
Molecular Mass: 94.93852
Monoisotopic Mass: 93.9418121
SMILES and InChIs

SMILES:
CBr
Canonical SMILES:
CBr
InChI:
InChI=1S/CH3Br/c1-2/h1H3
InChIKey:
GZUXJHMPEANEGY-UHFFFAOYSA-N

Cite this record

CBID:126259 http://www.chembase.cn/molecule-126259.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
CAS Number
74-83-9
EC Number
200-659-6
200-813-2
MDL Number
MFCD00000166
Beilstein Number
1209223
PubChem SID
24857742
24857788
24860533
24871979
162220598
24884432
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

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.02151  LogD (pH = 7.4) 1.02151 
Log P 1.02151  Molar Refractivity 14.2958 cm3
Polarizability 5.54935 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
15.22 g L-1 in water expand Show data source
Apperance
Colorless gas expand Show data source
Melting Point
-93.66°C expand Show data source
-94 °C(lit.) expand Show data source
Boiling Point
3.45°C (276.6K) expand Show data source
4 °C(lit.) expand Show data source
Flash Point
<-30 °C expand Show data source
11 °C expand Show data source
-29.2 °F expand Show data source
-34 °C expand Show data source
-40 °C expand Show data source
-40 °F expand Show data source
51.8 °F expand Show data source
Auto Ignition Point
535 °C expand Show data source
996 °F expand Show data source
Density
0.83 g/mL at 25 °C expand Show data source
0.86 g/mL at 25 °C expand Show data source
1.73 g/mL at 20 °C expand Show data source
3.3 g/mL at 25 °C(lit.) expand Show data source
3.974 mg mL-1 (at 20 °C) expand Show data source
Vapor Pressure
1420 mmHg ( 20 °C) expand Show data source
190 kPa (at 20 °C) expand Show data source
3945 mmHg ( 55 °C) expand Show data source
Vapor Density
3.3 (20 °C, vs air) expand Show data source
Partition Coefficient
1.3 expand Show data source
Odor
Chloroform expand Show data source
Std enthalpy of formation
-35.1–-33.5 kJ mol-1 expand Show data source
RTECS
PA4900000 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Nature polluting Nature polluting (N) expand Show data source
Toxic Toxic (T) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
1062 expand Show data source
1230 expand Show data source
3384 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
3 expand Show data source
Hazard Class
2.3 expand Show data source
6.1 expand Show data source
Packing Group
1 expand Show data source
2 expand Show data source
Risk Statements
11-19-20/22-36/37/38-48/20-50-59-68 expand Show data source
11-20/22-38-48/20-50-59-68 expand Show data source
11-23/24/25-39/23/24/25 expand Show data source
23/25-36/37/38-48/20-50-59-68 expand Show data source
R23/25, R36/37/38, R48/20, R50, R59, R68 expand Show data source
Safety Statements
15-27-36/39-38-45-59-61 expand Show data source
16-26-36/37-59-61 expand Show data source
16-36/37-59-61 expand Show data source
7-16-36/37-45 expand Show data source
S1/2, S15, S27, S36/39, S38, S45, S59, S61 expand Show data source
EU Index
602-002-00-2 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS06 expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
NFPA704
NFPA 704 diagram
1
3
0
expand Show data source
Explode Limits
~16 % expand Show data source
8.6–20% expand Show data source
GHS Hazard statements
H225-H301 + H311 + H331-H370 expand Show data source
H225-H302 + H332-H315-H319-H335 + H336-H341-H373-H400-H420 expand Show data source
H225-H302 + H332-H315-H319-H341-H373-H400-H420 expand Show data source
H280-H301 + H331-H315-H319-H335-H341-H373-H400-H420 expand Show data source
GHS Precautionary statements
P210-P260-P280-P301 + P310-P311 expand Show data source
P210-P261-P273-P281-P305 + P351 + P338 expand Show data source
P210-P273-P281-P305 + P351 + P338 expand Show data source
P261-P273-P281-P301 + P310-P305 + P351 + P338-P311 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US) expand Show data source
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 1062 2.3 expand Show data source
UN 1230 2.3/PG 2 expand Show data source
UN 3384 6.1/PG 1 expand Show data source
Supplemental Hazard Statements
May form explosive peroxides. expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥99.5% expand Show data source
≥99.5% (GC) expand Show data source
Concentration
2.0 M in diethyl ether expand Show data source
2.0 M in tert-butyl methyl ether expand Show data source
200 μg/mL in methanol expand Show data source
Grade
analytical standard expand Show data source
analytical standard, for environmental analysis expand Show data source
anhydrous expand Show data source
purum expand Show data source
Packaging
ampule of 1 mL expand Show data source
Impurities
<0.005% water expand Show data source
Quality
ampule expand Show data source
Empirical Formula (Hill Notation)
CH3Br expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 65952 external link
Other Notes
Sales restrictions may apply
Packaging
Cylinder with net ~3 kg
Sigma Aldrich - 338281 external link
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 external link
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 external link
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 external link
Other Notes
Sales restrictions may apply
Sigma Aldrich - 65954 external link
Other Notes
Sales restrictions may apply
Packaging
Cylinder with net ~10 kg
Sigma Aldrich - 32815 external link
General description
Certan Vial
for EU only, for US: Supelco 48624

REFERENCES

REFERENCES

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PATENTS

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