Basic information
- CAS
23691-13-6- Standard SMILES
C=CC(=C)CBr- InChIKey
KWEFLUDPRLSSTJ-UHFFFAOYSA-N- Molecular formula
- C5H7Br
- Average molar mass
- 147.01 g/mol
- Monoisotopic mass
- 145.97311232
Names & identifiers
- Preferred name
- 1,3-Butadiene, 2-(bromomethyl)-
- IUPAC
- 2-(bromomethyl)buta-1,3-diene
- English name
- 2-(bromomethyl)buta-1,3-diene
- Molecular formula
- C5H7Br
- Molecular weight
- 147.01
Names & synonyms
2-(bromomethyl)buta-1,3-diene23691-13-61,3-Butadiene, 2-(bromomethyl)-2-(Bromomethyl)-1,3-butadieneDTXSID3066924RefChem:414094DTXCID5036925818-299-92-bromomethyl-1,3-butadieneKWEFLUDPRLSSTJ-UHFFFAOYSA-SCHEMBL7190304YAA69113
Show more names
EN300-1084734Q63409349
Database identifiers
- CAS
23691-13-6- PubChem CID
- 90238
- DTXSID
DTXSID3066924- EC Number
- 818-299-9
- Nikkaji
- J47.872E
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 64.3
Physicochemical properties
- Boiling point
- 40 · 40-45 °C(Press: 40 Torr)
- Density
- 1.348 g/cm3 · 1.348 g/cm3(Temp: 25 °C)
- EPA Substance Registry System
- 1 · 1,3-Butadiene, 2-(bromomethyl)- (23691-13-6)
- Symbol(GHS)
- 7 · GHS07,GHS08,GHS02
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319-H341-H226
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P201-P202-P281-P308+P313-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362
- TSCA
- TSCA listed
Safety & regulation
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P203, P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: 1,3-Butadiene, 2-(bromomethyl)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08,GHS02
- Hazard statements
- H335-H315-H319-H341-H226
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P201-P202-P281-P308+P313-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Butadiene, 2-(bromomethyl)-: INACTIVE
Upstream & downstream products
Downstream products
Suppliers1 total
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
1 records
Compound notes
Loading…