Basic information
- CAS
19481-82-4- Standard SMILES
CC(Br)C#N- InChIKey
PYNYHMRMZOGVML-UHFFFAOYSA-N- Molecular formula
- C3H4BrN
- Average molar mass
- 133.97 g/mol
- Monoisotopic mass
- 132.95271123
Names & identifiers
- Preferred name
- 2-Bromopropionitrile
- IUPAC
- 2-bromopropanenitrile
- English name
- 2-BROMOPROPIONITRILE
- Molecular formula
- C3H4BrN
- Molecular weight
- 133.97
Names & synonyms
2-BromopropionitrileRefChem:467303628-749-42-bromopropanenitrile19481-82-4Propanenitrile, 2-bromo-MFCD000103832-bromo-propionitrilePropanenitrile, bromo-2-bromopropanitrile(+/-)-2-Bromopropionitrile;alpha-Bromopropionitrile2-bromoproprionitrile
Show more names
Propanenitrile, 2-bromo- (9CI)2-bromopropanenitrile - [B84363]
2-BroMopropionitrile 97%(+) 2-bromo-propionitrile2-Bromopropionitrile, 97%(+/-)-2-BromopropionitrileSCHEMBL181237SCHEMBL7670740SCHEMBL15742654DTXSID80941245
Database identifiers
- CAS
19481-82-4- PubChem CID
- 140538
- DTXSID
DTXSID80941245- EC Number
- 628-749-4
- Nikkaji
- J797.238E
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 60.5
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 68 · 68-69 °C/50 mmHg (lit.)
- Density
- 1.55 g/mL · 1.55 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.461(lit.)
- Flash point
- 137 °F · 137 °F
- storage temp.
- -20 °C · Storage temp. -20°C
- form
- liquid
- Appearance
- Colorless to light yellow Liquid
- InChI
- InChI=1S/C3H4BrN/c1-3(4)2-5/h3H,1H3
- InChIKey
- PYNYHMRMZOGVML-UHFFFAOYSA-N
- SMILES
- C(#N)C(Br)C
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1993 3/PG 3
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xn
- safety_code
- 23-26-28-36/37/39
- hazard_class
- 3.2
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H226-H302+H312+H332-H315-H319-H335
Chemistry & industry
Applications
Uses2-Bromopropionitrile was used as an initiator in the atom transfer radical polymerization using activators generated by electron transfer (AGET ATRP) of acrylonitrile and the reaction was catalysed by Yb-based catalyst.
Upstream & downstream products
Upstream raw materials
Suppliers65 total
上海凛南医药科技有限公司15900633975;13262632028
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
淄博彬莱医药科技有限公司15963310191
Related reactions
37 records
Compound notes
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