Basic information
- CAS
68406-47-3- Standard SMILES
Nc1ccc(Cl)cc1Nc1ccccc1- InChIKey
YRPYUECFYIYBGG-UHFFFAOYSA-N- Molecular formula
- C12H11ClN2
- Average molar mass
- 218.68 g/mol
- Monoisotopic mass
- 218.0610761
Names & identifiers
- Preferred name
- 5-Chloro-N-phenylbenzene-1,2-diamine
- IUPAC
- 4-chloro-2-N-phenylbenzene-1,2-diamine
- English name
- 5-chloro-N-phenylbenzene-1,2-diamine
- Molecular formula
- C12H11ClN2
- Molecular weight
- 218.68
Names & synonyms
68406-47-35-CHLORO-N1-PHENYLBENZENE-1,2-DIAMINE5-Chloro-N-phenylbenzene-1,2-diamine4-chloro-2-N-phenylbenzene-1,2-diamine1,2-Benzenediamine, 4-chloro-N2-phenyl-MFCD011565825-Chloro-1-n-phenylbenzene-1,2-diamineEINECS 270-052-92-Amino-5-Chloro-N-phenylaniline; 2-Amino-5-chlorodiphenylamine; 4-Chloro-N'-phenylbenzene-1,2-diamine; 4-Chloro-N2-phenyl-o-phenylenediamine4-Chloro-2-(phenylamino)benzenamineOprea1_258582SCHEMBL4593990
Show more names
SCHEMBL4593994SCHEMBL4925570Diphenylamine, 2-amino-5-chloroDTXSID20987980TCA40647AKOS022653149SB792834-Chloro-N'-phenylbenzene-1,2-diamine
Database identifiers
- CAS
68406-47-3- PubChem CID
- 526554
- DTXSID
DTXSID20987980- EC Number
- 270-052-9
- Nikkaji
- J332.510E
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 192
Physicochemical properties
- Melting point
- 93 · 93-97oC
- Boiling point
- 354.9 · 354.9±32.0 °C(Predicted)
- Density
- 1.288 · 1.288±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- pka
- 4.18 · 4.18±0.10(Predicted)
- form
- Solid
- color
- Light Grey to Light Purple
- 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
Applications
Uses5-Chloro-N1-phenylbenzene-1,2-diamine is a reaget that is used in the synthesis of dihydrobenzodiazepinediones as inhibitors of HIV-1 capsid assembly reverse transcriptase inhibitor.
Upstream & downstream products
Downstream products
Suppliers12 total
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
济南睿通生物科技有限公司+86-16615778970 +86-16615778970 · [email protected]
山东瑞悦生物技术有限公司0531-88581623 18805314509 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
山东轩鸿生物医药有限公司+86-0531-88801869 15090917080 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
Related reactions
2 records
Compound notes
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