Basic information
- CAS
28363-24-8- Standard SMILES
N#CCNc1ccc(Br)cc1- InChIKey
JDTSLTWFRVCQIE-UHFFFAOYSA-N- Molecular formula
- C8H7BrN2
- Average molar mass
- 211.06 g/mol
- Monoisotopic mass
- 209.97926
Names & identifiers
- Preferred name
- 2-[(4-Bromophenyl)amino]acetonitrile
- IUPAC
- 2-(4-bromoanilino)acetonitrile
- English name
- 2-[(4-bromophenyl)amino]acetonitrile
- Molecular formula
- C8H7BrN2
- Molecular weight
- 211.06
Names & synonyms
2-[(4-BROMOPHENYL)AMINO]ACETONITRILE28363-24-82-(4-bromoanilino)acetonitrileSCHEMBL13192623DBA36324MFCD11153121AKOS000254200CS-0258827EN300-71530F80269F670844Z266466556
Show more names
Acetonitrile, 2-[(4-bromophenyl)amino]-
Database identifiers
- CAS
28363-24-8- PubChem CID
- 28581148
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 35.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Boiling point
- 354.1 · 354.1±27.0 °C(Predicted)
- Density
- 1.563 · 1.563±0.06 g/cm3(Predicted)
- pka
- 0.47 · 0.47±0.50(Predicted)
Chemistry & industry
Suppliers1 total
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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