2-Amino-4'-chlorobenzophenone

HCID 76166

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Basic information

CAS: 2894-51-1
Standard SMILES: Nc1ccccc1C(=O)c1ccc(Cl)cc1
InChIKey: APHLSUBLNQBFTM-UHFFFAOYSA-N
Molecular formula: C13H10ClNO
Average molar mass: 231.68 g/mol
Monoisotopic mass: 231.04509162

Names & identifiers

Preferred name: 2-Amino-4'-chlorobenzophenone
IUPAC: (2-aminophenyl)-(4-chlorophenyl)methanone
English name: 2-Amino-4'-chlorobenzophenone
Molecular formula: C13H10ClNO
Molecular weight: 231.68

Names & synonyms

2-Amino-4'-chlorobenzophenone2894-51-1EINECS 220-770-3DTXSID2022200RefChem:463962DTXCID602200220-770-3(2-aminophenyl)(4-chlorophenyl)methanoneMethanone, (2-aminophenyl)(4-chlorophenyl)-(2-aminophenyl)-(4-chlorophenyl)methanone2-(4-chlorobenzoyl)anilineMFCD00025193

Show more names

C13H10ClNO(2-Aminophenyl)2-Amino-4'-chlorobenzophenone >2-AMINO-4''-CHLOROBENZOPHENONE 96+%2-Amino-4'-chlorobenzophenone, 98.5%2-AMino-4'-chlorobenzophenone, 98.0%(GC&T(2-azanylphenyl)-(4-chlorophenyl)methanoneCAS2894-51-1 2-Amino-4'-chlorobenzophenone

2-Amino-4'-Chloro Benzophenone4'-chloro-2-aminobenzophenoneAPHLSUBLNQBFTM-UHFFFAOYSA-AKOS009158907SY036440A1244(2-Amino-phenyl)-(4-chloro-phenyl)-methanoneAMY15097

Database identifiers

CAS: 2894-51-1
PubChem CID: 76166
DTXSID: DTXSID2022200
UNII: 4HA82ZEY3J
EC Number: 220-770-3
Nikkaji: J80.590D

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 43.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 248

Physicochemical properties

Melting point: 103 °C · 103°C
Boiling point: 419.8 · 419.8±30.0 °C(Predicted)
Density: 1.274 · 1.274±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: soluble in Chloroform
form: powder to crystal
pka: -0.35 · -0.35±0.10(Predicted)
color: Light yellow to Yellow to Orange
InChI: InChI=1S/C13H10ClNO/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8H,15H2
InChIKey: APHLSUBLNQBFTM-UHFFFAOYSA-N
SMILES: C(C1=CC=CC=C1N)(C1=CC=C(Cl)C=C1)=O
CAS DataBase Reference: 2894 · 2894-51-1(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Risk Statements: 36 · 36/37/38-36
Safety Statements: 26 · 26-36/37/39
RIDADR: 3077 · UN3077
RTECS: 1900000 · XZ1900000
HazardClass: 9 · 9
HS Code: 29223990 · 29223990
Limited Quantities: 5 kg · 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H317 (97.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Sens. 1 (97.5%)

Safety data

rtecs: XZ1900000
ridadr: UN3077
hs_code: 29223990
risk_code: 36/37/38-36
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36/37/39
hazard_class: 9
Hazard statements: H315-H319
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313