Basic information
- CAS
850451-72-8- Standard SMILES
N#CCc1cc(N)ccc1Cl- InChIKey
HFHGPZBZORSWGQ-UHFFFAOYSA-N- Molecular formula
- C8H7ClN2
- Average molar mass
- 166.61 g/mol
- Monoisotopic mass
- 166.0297759
Names & identifiers
- Preferred name
- 2-(5-Amino-2-chlorophenyl)acetonitrile
- IUPAC
- 2-(5-amino-2-chlorophenyl)acetonitrile
- English name
- 2-(5-Amino-2-chlorophenyl)acetonitrile
- Molecular formula
- C8H7ClN2
- Molecular weight
- 166.61
Names & synonyms
2-(5-amino-2-chlorophenyl)acetonitrile850451-72-8MFCD183895175-Amino-2-chlorophenylacetonitrile(5-Amino-2-chloro-phenyl)-acetonitrileSCHEMBL5040154DTXSID50694256HFHGPZBZORSWGQ-UHFFFAOYSA-N(5-Amino-2-chlorophenyl)acetonitrileAKOS015854625AF-07432-(5-amino-2-chloro-phenyl)acetonitrile
Show more names
4-Chloro-3-(cyanomethyl)anilineBenzeneacetonitrile, 5-amino-2-chloro-5-Amino-2-chlorophenylacetonitrile 95+%
CS-0358768
Database identifiers
- CAS
850451-72-8- PubChem CID
- 53396333
- DTXSID
DTXSID50694256- Nikkaji
- J3.687.397C
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332
- Precautionary statements
- 271 · P271
- HazardClass
- IRRITANT
- HS Code
- 2926907090 · 2926907090
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
- hs_code
- 2926907090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302+H312+H332
- Precautionary statements
- P271
Chemistry & industry
Suppliers4 total
上海华思格医药科技有限公司13611612777 · [email protected]
上海圣酮生物医药有限公司15065661979 15065661979 · [email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
2 records
Compound notes
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