Basic information
- CAS
1205-71-6- Standard SMILES
Clc1ccc(Nc2ccccc2)cc1- InChIKey
VPRIGCVCJPKVFZ-UHFFFAOYSA-N- Molecular formula
- C12H10ClN
- Average molar mass
- 203.67 g/mol
- Monoisotopic mass
- 203.050177
Names & identifiers
- Preferred name
- 4-Chloro-N-phenylaniline
- IUPAC
- 4-chloro-N-phenylaniline
- English name
- 4-CHLORODIPHENYLAMINE
- Molecular formula
- C12H10ClN
- Molecular weight
- 203.67
Names & synonyms
4-chloro-N-phenylanilineRefChem:521901112-568-81205-71-64-Chlorodiphenylamine4-CHLORO-N-PHENYLBENZENAMINEBenzenamine, 4-chloro-N-phenyl-MFCD01027200[1,1'-Biphenyl]-2-amine,4'-chloro-Cetirizine Impurity 564-ChlorophenylphenylaminePhenyl(4-chlorophenyl)amine
Show more names
NSC 231508AKOS 92455p-Chlorodiphenylaminep-AnilinochlorobenzeneCinnarizine Impurity 56N-Phenyl-4-chloroaniline
N-(4-Chlorophenyl)benzenaminep-chlorophenylanilineNSC231508N-p-Chlorophenylaniline4-chloro-N-phenyl-anilineSCHEMBL1118624SCHEMBL1118626SCHEMBL5542327
Database identifiers
- CAS
1205-71-6- PubChem CID
- 14570
- DTXSID
DTXSID70152883- EC Number
- 112-568-8
- Nikkaji
- J151.723F
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 158
Physicochemical properties
- Melting point
- 74 °C · 74°C
- Boiling point
- 332.47 °C · 332.47°C (rough estimate)
- Density
- 1.1604 · 1.1604 (rough estimate)
- refractive index
- 1.5868 · 1.5868 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 0.27 · 0.27±0.20(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- 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.
GHS classification
GHS Classification
Danger
H301+H311+H331 (100%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers81 total
陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]
天津始加生物医药科技有限公司15022261580 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
中唯炼焦技术国家工程研究中心有限责任公司18642208095 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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