CAS 93-67-4 5-Chloro-2-phenoxyaniline (HCID 66738)

Names & identifiers

Preferred name: 5-Chloro-2-phenoxyaniline
IUPAC: 5-chloro-2-phenoxyaniline
English name: 5-Chloro-2-phenoxyaniline
Molecular formula: C12H10ClNO
Molecular weight: 219.67

Names & synonyms

5-Chloro-2-phenoxyanilineBenzenamine, 5-chloro-2-phenoxy-2-Amino-4-chlorodiphenyl ether5-chloro-2-phenoxybenzenamine1-amino-5-chloro-2-phenoxybenzeneNSC-5975966SM796MDBAniline, 5-chloro-2-phenoxy-DTXSID70239224EINECS 202-266-5UNII-66SM796MDBEC 202-266-5

Show more names

2-AMINO-4-CHLOROPHENYL PHENYL ETHERAKOS B034412C.I.37070(base)Fast Red Base FGAzoic DC 26(base)TIMTEC-BB SBB003358Azoic Diazo Component 264-Chlor-2-aminodiphenylether5-chloro-2-phenoxyphenylamine

NSC 59759RefChem:102334DTXCID90161715202-266-593-67-4MFCD000252175-chloro-2-phenoxy-aniline4-Chloro-2-aminodiphenyl ether

Database identifiers

CAS: 93-67-4
PubChem CID: 66738
DTXSID: DTXSID70239224
ChEMBL: CHEMBL1240673
UNII: 66SM796MDB
EC Number: 202-266-5
Nikkaji: J60.222A

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 35.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 194

Physicochemical properties

Melting point: 41 · 41-44 °C (lit.)
Boiling point: 192 °C/12mmHg · 192°C/12mmHg(lit.)
Density: 1.26 · 1.260±0.06 g/cm3(Predicted)
Flash point: 230 °F · >230 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 3.08 · 3.08±0.10(Predicted)
form: powder to crystal
color: White to Gray to Brown
InChI: 1S/C12H10ClNO/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h1-8H,14H2
InChIKey: SXEBHIMOUHBBOS-UHFFFAOYSA-N
SMILES: Nc1cc(Cl)ccc1Oc2ccccc2
CAS DataBase Reference: 93 · 93-67-4(CAS DataBase Reference)
FDA UNII: 66 SM796MDB · 66SM796MDB
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
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
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 2 · 2
HazardClass: IRRITANT
HS Code: 29093090 · 29093090
Storage Class: 11 · 11 - Combustible Solids
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 4.5% (2 of 44) of reports.

Warning

H315 (95.5%): 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 44 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 14-05-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/10207

Hazard Classes and CategoriesSkin Irrit. 2 (95.5%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 2
hs_code: 29093090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319
REACH Registrations: Active
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Applications

Description5-Chloro-2-phenoxyaniline is an important acid dye intermediate, mainly used in the production of acid red 249, acid red 149, acid blue 128, etc.

Uses5-Chloro-2-phenoxyphenylamine is a derivative of aniline and is a building block of various complex organic compounds.