Basic information
- CAS
23008-56-2- Standard SMILES
O=[N+]([O-])c1ccccc1Nc1ccc(Cl)cc1- InChIKey
RCLKXSIRDRWUGX-UHFFFAOYSA-N- Molecular formula
- C12H9ClN2O2
- Average molar mass
- 248.66 g/mol
- Monoisotopic mass
- 248.03525521
Names & identifiers
- Preferred name
- N-(4-chlorophenyl)-2-nitroaniline
- IUPAC
- N-(4-chlorophenyl)-2-nitroaniline
- English name
- N-(4-CHLOROPHENYL)-2-NITROBENZENAMINE
- Molecular formula
- C12H9ClN2O2
- Molecular weight
- 248.67
Names & synonyms
N-(4-Chlorophenyl)-2-nitroaniline23008-56-2N-(4-Chlorophenyl)-2-nitrobenzenamineEINECS 245-377-4DTXSID00177564RefChem:827461DTXCID60100055245-377-44-Chloro-2'-nitrodiphenylamine2-(4-Chlorophenylamino)nitrobenzeneMFCD02683544Benzenamine, N-(4-chlorophenyl)-2-nitro-
Show more names
Disperse Yellow 22TIMTEC-BB SBB0031652-NITRO-4'-CHLORDIPHENYLAMIN
4'-Chloro-2-nitrodiphenylamine2-(4-Chlorophenylamino)-1-nitrobenzene4-chloro-N-(2-nitrophenyl)anilineC.I.Disperse Yellow 22SRA Fast Golden Yellow XII2-NITRO-4'-CHLORO DIPHENYLAMINEXSJ8CPM4LSC.I.10336
Database identifiers
- CAS
23008-56-2- PubChem CID
- 89958
- DTXSID
DTXSID00177564- UNII
- XSJ8CPM4LS
- EC Number
- 245-377-4
- Nikkaji
- J37.805D
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 57.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Melting point
- 145 · 145-148 °C(lit.)
- Boiling point
- 377.2 · 377.2±27.0 °C(Predicted)
- Density
- 1.387 · 1.387±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- -3.9 · -3.90±0.40(Predicted)
- Appearance
- Brown to dark brown Solid
- InChI
- InChI=1S/C12H9ClN2O2/c13-9-5-7-10(8-6-9)14-11-3-1-2-4-12(11)15(16)17/h1-8,14H
- InChIKey
- RCLKXSIRDRWUGX-UHFFFAOYSA-N
- SMILES
- C1(NC2=CC=C(Cl)C=C2)=CC=CC=C1[N+]([O-])=O
- CAS DataBase Reference
- 23008 · 23008-56-2(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 2921490090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses2-Nitro-4''-chlorodiphenylamine is a reagent used in the synthesis of novel 4-phenoxyquinoline derivatives as c-Met kinase inhibitors. Intermediate for Clofazimine.
Preparation methods
Preparation4-Chlorobenzenamine and 1-Chloro-2-nitrobenzenecondensation
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers76 total
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Related reactions
8 records
Compound notes
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