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Basic information
- CAS
25781-92-4- Standard SMILES
O=[N+]([O-])c1ccc(Cl)cc1Nc1ccccc1- InChIKey
FPKHZBVGKMTUHB-UHFFFAOYSA-N- Molecular formula
- C12H9ClN2O2
- Average molar mass
- 248.669 g/mol
- Monoisotopic mass
- 248.03525521
Names & identifiers
- Preferred name
- 5-Chloro-2-nitrodiphenylamine
- IUPAC
- 5-Chloro-2-nitro-N-phenylaniline
- English name
- 5-Chloro-2-nitrodiphenylamine
- Molecular formula
- C12H9ClN2O2
- Molecular weight
- 248.67
Names & synonyms
TIMTEC-BB SBB0031665-chloro-2-nitrobenzidine5-CHLORO-3-NITRODIPHENYLAMINE5-Chloro-2-nitrodiphenylamine2-Anilino-4-chloronitrobenzeneN-Phenyl-2-nitro-5-chloroaniline5-Chloro-2-nitro-N-phenylaniline5-Chloro-2-nitrodiphenylamine,98%5-Chloro-2-nitrodiphenylamine 98%5-Chloro-2-nitrodiphenylamine >
Database identifiers
- CAS
25781-92-4- PubChem CID
- 117635
- DTXSID
DTXSID10180448- UNII
- 5A4C9X958N
- EC Number
- 151-136-3、247-261-9
- Nikkaji
- J287.333H
Properties
Physicochemical properties
- Melting point
- 110 · 110-114 °C
- Boiling point
- 370.4 · 370.4±32.0 °C(Predicted)
- Density
- 1.3696 · 1.3696 (rough estimate)
- refractive index
- 1.527 · 1.5270 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Very Slightly, Heated)
- form
- Solid
- pka
- -4.38 · -4.38±0.50(Predicted)
- color
- Orange to Red
- InChI
- InChI=1S/C12H9ClN2O2/c13-9-6-7-12(15(16)17)11(8-9)14-10-4-2-1-3-5-10/h1-8,14H
- InChIKey
- FPKHZBVGKMTUHB-UHFFFAOYSA-N
- SMILES
- C1(NC2=CC=CC=C2)=CC(Cl)=CC=C1[N+]([O-])=O
- CAS DataBase Reference
- 25781 · 25781-92-4(CAS DataBase Reference)
- FDA UNII
- 5 A4C9X958N · 5A4C9X958N
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 24 · 24/25-36-26
- HS Code
- 29214400 · 29214400
- REACH Registrations
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
- 29214400
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 24/25-36-26
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesReagent used in the preparation of substituted Phenylbenzimidazoles.
Uses5-Chloro-2-nitrodiphenylaMine can be used in the preparation of substituted Phenylbenzimidazoles.
General Description5-Chloro-2-nitrodiphenylamine is a diphenylamine compound that contains both a nitro and a chlorine functional group on one of its benzene rings. 5-Chloro-2-nitrodiphenylamine can be used as a starting material for synthesising the anti-epileptic drug Clobazam.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
Related reactions
4 records
Compound notes
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