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75-26-3 molecular structure
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2-bromopropane

ChemBase ID: 123361
Molecular Formular: C3H7Br
Molecular Mass: 122.99168
Monoisotopic Mass: 121.97311222
SMILES and InChIs

SMILES:
BrC(C)C
Canonical SMILES:
CC(Br)C
InChI:
InChI=1S/C3H7Br/c1-3(2)4/h3H,1-2H3
InChIKey:
NAMYKGVDVNBCFQ-UHFFFAOYSA-N

Cite this record

CBID:123361 http://www.chembase.cn/molecule-123361.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromopropane
IUPAC Traditional name
2-bromopropane
Synonyms
2-bromopropane
Isopropyl bromide
2-Bromopropane
异丙基溴
2-溴丙烷
CAS Number
75-26-3
EC Number
200-855-1
MDL Number
MFCD00000147
Beilstein Number
741852
Merck Index
145210
PubChem SID
162217714
24885840
24892020
PubChem CID
6358
CHEMBL
451810
Chemspider ID
6118
MeSH Name
2-bromopropane
Wikipedia Title
2-Bromopropane

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.794893  LogD (pH = 7.4) 1.794893 
Log P 1.794893  Molar Refractivity 23.4632 cm3
Polarizability 9.06201 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
3.2 g L-1 (at 20 °C) in water expand Show data source
Apperance
Colorless liquid expand Show data source
Melting Point
-88.95°C (184.2K) expand Show data source
-89 °C(lit.) expand Show data source
-89°C expand Show data source
Boiling Point
58.85 - 60.85°C (332 - 334 K) expand Show data source
59 °C(lit.) expand Show data source
59-60°C expand Show data source
Flash Point
19 °C expand Show data source
19°C(66°F) expand Show data source
66.2 °F expand Show data source
Density
1.31 g mL-1 expand Show data source
1.31 g/mL at 25 °C(lit.) expand Show data source
1.310 expand Show data source
Refractive Index
1.4251 expand Show data source
1.4255 expand Show data source
n20/D 1.425 expand Show data source
n20/D 1.425(lit.) expand Show data source
Vapor Pressure
32 kPa (at 20 °C) expand Show data source
Partition Coefficient
2.136 expand Show data source
Henry Constant
1.0 μmol Pa-1 mol-1 expand Show data source
Viscosity
4.894 mPa s (at 20 °C) expand Show data source
Heat Capacity
135.6 J K mol-1 expand Show data source
Std enthalpy of combustion
-2.0537–-2.0501 MJ mol-1 expand Show data source
Std enthalpy of formation
-129 kJ mol-1 expand Show data source
RTECS
TX4111000 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Toxic Toxic (T) expand Show data source
UN Number
2344 expand Show data source
UN2344 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
German water hazard class
1 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
60-11-48/20-66 expand Show data source
R60, R11, R48/20, R66 expand Show data source
Safety Statements
53-45 expand Show data source
S16, S45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS flame expand Show data source
GHS health hazard expand Show data source
GHS02 expand Show data source
GHS08 expand Show data source
GHS Signal Word
DANGER expand Show data source
Danger expand Show data source
NFPA704
NFPA 704 diagram
3
2
0
expand Show data source
GHS Hazard statements
225, 360, 373 expand Show data source
H225-H360F-H373 expand Show data source
H225-H360-H373 expand Show data source
GHS Precautionary statements
210, 308+313 expand Show data source
P201-P210-P308 + P313 expand Show data source
P210-P241-P260-P303+P361+P353-P405-P501A expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US) expand Show data source
RID/ADR
UN 2344 3/PG 2 expand Show data source
Supplemental Hazard Statements
Repeated exposure may cause skin dryness or cracking. expand Show data source
Purity
≥99% expand Show data source
≥99.0% (GC) expand Show data source
≥99.5% (GC) expand Show data source
99% expand Show data source
Grade
analytical standard expand Show data source
purum expand Show data source
Shelf Life
(limited shelf life, expiry date on the label) expand Show data source
Linear Formula
(CH3)2CHBr expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - B78114 external link
Packaging
100, 500 g in glass bottle
Sigma Aldrich - 239909 external link
Packaging
10 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Can be used, (K2CO3 in DMF), to protect phenolic OH groups as their isopropyl ethers, more stable than benzyl ethers to Lewis acids: J. Chem. Soc., Perkin 1, 2593 (1979).
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PATENTS

PATENTS

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INTERNET

INTERNET

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