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557-93-7 molecular structure
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2-bromoprop-1-ene

ChemBase ID: 149451
Molecular Formular: C3H5Br
Molecular Mass: 120.9758
Monoisotopic Mass: 119.95746216
SMILES and InChIs

SMILES:
CC(=C)Br
Canonical SMILES:
CC(=C)Br
InChI:
InChI=1S/C3H5Br/c1-3(2)4/h1H2,2H3
InChIKey:
PHMRPWPDDRGGGF-UHFFFAOYSA-N

Cite this record

CBID:149451 http://www.chembase.cn/molecule-149451.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromoprop-1-ene
IUPAC Traditional name
1-propene, 2-bromo-
Synonyms
Isopropenyl bromide
2-Bromopropene
2-Bromopropene
异丙烯基溴
2-溴丙烯
CAS Number
557-93-7
EC Number
209-185-4
MDL Number
MFCD00000140
Beilstein Number
1731926
PubChem SID
162243616
24892022
PubChem CID
11202

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11202 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.6610538  LogD (pH = 7.4) 1.6610538 
Log P 1.6610538  Molar Refractivity 23.4145 cm3
Polarizability 8.818868 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)
Melting Point
-87°C expand Show data source
Boiling Point
47-49 °C(lit.) expand Show data source
47-49°C expand Show data source
Flash Point
39.2 °F expand Show data source
4 °C expand Show data source
4°C(39°F) expand Show data source
Density
1.362 expand Show data source
1.362 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.4430 expand Show data source
n20/D 1.4436(lit.) expand Show data source
Vapor Pressure
5.05 psi ( 20 °C) expand Show data source
Storage Warning
Light Sensitive expand Show data source
RTECS
UC7085000 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
1993 expand Show data source
UN1993 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 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
11-36/37/38 expand Show data source
Safety Statements
23-26-36 expand Show data source
9-16-26-29-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H315-H319-H335 expand Show data source
GHS Precautionary statements
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
P210-P261-P305 + P351 + P338 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 1993 3/PG 2 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
99% expand Show data source
99%, stab. expand Show data source
Linear Formula
CH3C(Br)=CH2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - B78254 external link
Packaging
10, 50 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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