Basic information
- CAS
510772-87-9- Standard SMILES
N#Cc1ccc(CBr)c(F)c1F- InChIKey
WCRCRGGHKVPEBO-UHFFFAOYSA-N- Molecular formula
- C8H4BrF2N
- Average molar mass
- 232.02 g/mol
- Monoisotopic mass
- 230.94952
Names & identifiers
- Preferred name
- 4-(Bromomethyl)-2,3-difluorobenzonitrile
- IUPAC
- 4-(bromomethyl)-2,3-difluorobenzonitrile
- English name
- 4-(bromomethyl)-2,3-difluorobenzonitrile
- Molecular formula
- C8H4BrF2N
- Molecular weight
- 232.0248664
Names & synonyms
4-(BROMOMETHYL)-2,3-DIFLUOROBENZONITRILE510772-87-9SCHEMBL6646922DTXSID5012759024-Cyano-2,3-difluorobenzyl bromideDB-022026
Database identifiers
- CAS
510772-87-9- PubChem CID
- 53404202
- DTXSID
DTXSID501275902
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 200
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
苏州亚衍医药科技有限公司17715136450 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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