4-Amino-4'-chlorodiphenyl

HCID 8675CAS 135-68-2

Substructure search Find similar structures

Basic information

Standard SMILES: Nc1ccc(-c2ccc(Cl)cc2)cc1
InChIKey: OREQWMWYRYXCDF-UHFFFAOYSA-N
Molecular formula: C12H10ClN
Average molar mass: 203.67 g/mol
Monoisotopic mass: 203.050177

Names & identifiers

Preferred name: 4-Amino-4'-chlorodiphenyl
IUPAC: 4-(4-chlorophenyl)aniline
English name: 4'-Chloro-biphenyl-4-ylamine
Molecular formula: C12H10ClN
Molecular weight: 203.67

Names & synonyms

135-68-24-Amino-4'-chlorobiphenyl4'-Chlorobiphenyl-4-ylamine4-AMINO-4'-CHLORODIPHENYL4-Biphenylamine, 4'-chloro-CCRIS 5144p'-Chloro-p-phenylanilinep-Amino-p'-chlorobiphenyl(1,1'-Biphenyl)-4-amine, 4'-chloro-[1,1'-Biphenyl]-4-amine, 4'-chloro-EINECS 205-211-3C8TZY038QB

Show more names

AKOS BAR-0150SALOR-INT L300829-1EA4’-chloro-4-biphenylamin4-Amino-4’-chlorodiphenyl4'-Chlorobiphenyl-4-amine4-(4-chlorophenyl)aniline4'-Chloro-4-aminobiphenyl

BRN 2207825NSC-957134-chloro-4'-aminobiphenylDTXSID60368314-12-00-03269 (Beilstein Handbook Reference)NSC 957134'-Chloro[1,1'-biphenyl]-4-amine4-AMINO-4'-CHLORODIPHENYL [MI]

Database identifiers

CAS: 135-68-2
PubChem CID: 8675
DTXSID: DTXSID6036831
ChEMBL: CHEMBL2046998
UNII: C8TZY038QB
EC Number: 205-211-3
Nikkaji: J5.613H

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 167

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical structure

Physicochemical properties

Melting point: 127 · 127-129°C
Boiling point: 338 ℃ · 338℃
Density: 1.205 · 1.205
refractive index: 1.61 · 1.6100 (estimate)
Flash point: 158 ℃ · 158℃
storage temp.: 2 · 2-8°C(protect from light)
pka: 3.97 · 3.97±0.10(Predicted)
form: solid
color: Beige
Water Solubility: 4.684 mg/L · 4.684mg/L(temperature not stated)
CAS DataBase Reference: 135 · 135-68-2(CAS DataBase Reference)
FDA UNII: 8 TZY038QB · C8TZY038QB
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 7 · GHS07,GHS09
Signal word: Warning
Hazard statements: 302 · H302-H410
Precautionary statements: 273 · P273-P301+P312+P330
Hazard Codes: Xi,N,Xn
Risk Statements: 36 · 36/37/38-50-22
Safety Statements: 26 · 26-36/37/39-61
RIDADR: 3077 · UN 3077 9 / PGIII
WGK Germany: 3 · 3
Hazard Note: Irritant
HS Code: 2921490090 · 2921490090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, 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.