Basic information
- CAS
42879-03-8- Standard SMILES
N#CC=CCBr- InChIKey
DNQQWHOUZPHKMD-UHFFFAOYSA-N- Molecular formula
- C4H4BrN
- Average molar mass
- 145.99 g/mol
Names & identifiers
- Preferred name
- 4-Bromobut-2-enenitrile
- IUPAC
- 4-bromobut-2-enenitrile
- English name
- 2-Butenenitrile, 4-bromo-
- Molecular formula
- C4H4BrN
- Molecular weight
- 145.98
Names & synonyms
4-bromobut-2-enenitrile42879-03-8RefChem:520483820-987-92-Butenenitrile, 4-bromo-SCHEMBL1498846DNQQWHOUZPHKMD-UHFFFAOYSA-NAKOS026728422AT10435DA-059114-Bromo-2-butynenitrile
Database identifiers
- CAS
42879-03-8- PubChem CID
- 53769583
- EC Number
- 820-987-9
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 87
Physicochemical properties
- Boiling point
- 75 °C · 75 °C(Press: 15 Torr)
- Density
- 1.541 · 1.541±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 227 · H227-H301
- Precautionary statements
- 210 · P210-P280-P370+P378-P403+P235-P501-P264-P270-P301+P310-P321-P330-P405-P501
Safety & regulation
GHS classification
GHS Classification
Danger
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P264, P270, P280, P301+P316, P321, P330, P370+P378, P403, 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
Hazard Classes and CategoriesFlam. Liq. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H227-H301
- Precautionary statements
- P210-P280-P370+P378-P403+P235-P501-P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers5 total
上海敏寒医药科技有限公司17612188245 · [email protected]
安庆济达生物科技有限公司0556-5881618 18956990316 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
1 records
Compound notes
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