Methyl bromo(cyano)acetate
Basic information
- CAS
31253-11-9- Standard SMILES
COC(=O)C(Br)C#N- InChIKey
ARPGZMIRSBUKBU-UHFFFAOYSA-N- Molecular formula
- C4H4BrNO2
- Average molar mass
- 177.98 g/mol
- Monoisotopic mass
- 176.94254
Names & identifiers
- Preferred name
- Methyl bromo(cyano)acetate
- IUPAC
- methyl 2-bromo-2-cyanoacetate
- English name
- methyl 2-bromo-2-cyano-acetate
- Molecular formula
- C4H4BrNO2
- Molecular weight
- 177.98
Names & synonyms
31253-11-9methyl bromo(cyano)acetateDTXSID80291499RefChem:356592DTXCID80242643methyl 2-bromo-2-cyanoacetateMETHYL 2-BROMO-2-CYANO-ACETATEAcetic acid,2-bromo-2-cyano-, methyl esterNSC75984methyl bromocyanoacetatemethyl2-bromo-2-cyanoacetateSCHEMBL2186330
Show more names
Acetic acid, 2-bromo-2-cyano-, methyl ester
NSC-75984DS-009678
Database identifiers
- CAS
31253-11-9- PubChem CID
- 253277
- DTXSID
DTXSID80291499- Nikkaji
- J472.815G
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 280 · P280
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…