Basic information
- CAS
289686-80-2- Standard SMILES
Cc1cc(C#N)c(N)cc1Cl- InChIKey
UUWBRWXXBHDPMM-UHFFFAOYSA-N- Molecular formula
- C8H7ClN2
- Average molar mass
- 166.61 g/mol
- Monoisotopic mass
- 166.0297759
Names & identifiers
- Preferred name
- 2-Amino-4-chloro-5-methylbenzonitrile
- IUPAC
- 2-amino-4-chloro-5-methylbenzonitrile
- English name
- 2-Amino-4-chloro-5-methyl-benzonitrile
- Molecular formula
- C8H7ClN2
- Molecular weight
- 166.61
Names & synonyms
289686-80-22-AMINO-4-CHLORO-5-METHYLBENZONITRILE2-amino-4-chloro-5-methyl-benzonitrileMFCD084376202-Cyano-5-chloro-4-methylanilineSCHEMBL404910DTXSID50445987UUWBRWXXBHDPMM-UHFFFAOYSA-N5-chloro-2-cyano-4-methylanilineAB3018AKOS006290621SB36404
Show more names
AS-44674Benzonitrile, 2-amino-4-chloro-5-methyl-DB-068043CS-0340521F334023F8885-5349
Database identifiers
- CAS
289686-80-2- PubChem CID
- 10855865
- DTXSID
DTXSID50445987
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Melting point
- 180 °C · 180 °C
- Boiling point
- 325 · 325.0±42.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 1.19 · 1.19±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers12 total
上海群燊医药科技有限公司15316975816 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海肯恩化学科技有限公司13120367189;18621755571 · [email protected]
上海晟铱生物科技有限公司021-58957915 17721108391 · [email protected]
苏州施亚生物科技有限公司0512-0512-52358471 17715136450 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
上海智乾生物科技有限公司[email protected]
湖北省善乐兴生物科技有限公司18321145570 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
4 records
Compound notes
Loading…