CAS 40677-44-9 2-Amino-4,6-dichloro-5-methylphenol (HCID 170224)

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Basic information

CAS: 40677-44-9
Standard SMILES: Cc1c(Cl)cc(N)c(O)c1Cl
InChIKey: QDOGSLSGLUTSQL-UHFFFAOYSA-N
Molecular formula: C7H7Cl2NO
Average molar mass: 192.04 g/mol
Monoisotopic mass: 190.9904692

Names & identifiers

Preferred name: 2-Amino-4,6-dichloro-5-methylphenol
IUPAC: 6-amino-2,4-dichloro-3-methylphenol
English name: 2-AMINO-4,6-DICHLORO-5-METHYLPHENOL
Molecular formula: C7H7Cl2NO
Molecular weight: 192.04

Names & synonyms

6-amino-2,4-dichloro-3-methylphenol2-AMINO-4,6-DICHLORO-5-METHYLPHENOL6-Amino-2,4-dichloro-m-cresolPhenol, 6-amino-2,4-dichloro-3-methyl-JR7CL4CYA2DTXSID90682453,5-Dichloro-2-hydroxy-4-methylanilineRefChem:197666DTXCID803979640677-44-9MFCD00071776EINECS 255-033-5

Show more names

6-amino-2,4-dichloro-3-methyl-pheno2-Amino-4,6-Dichloro-5-Methylphenolphenol4-[(2,2,2-trifluoro-1-oxoethyl)amino]benzoic acid

UNII-JR7CL4CYA2Oprea1_795152SCHEMBL2527588SCHEMBL6378633SCHEMBL31532309ALBB-023292SBB028398STK396630

Database identifiers

CAS: 40677-44-9
PubChem CID: 170224
DTXSID: DTXSID9068245
UNII: JR7CL4CYA2
EC Number: 255-033-5
Nikkaji: J31.073E

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 46.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 144

Physicochemical properties

Melting point: 133 · 133-134 °C
Boiling point: 296.3 · 296.3±40.0 °C(Predicted)
Density: 1.473 · 1.473±0.06 g/cm3(Predicted)
pka: 7.97 · 7.97±0.28(Predicted)
CAS DataBase Reference: 40677 · 40677-44-9(CAS DataBase Reference)
FDA UNII: 7 CL4CYA2 · JR7CL4CYA2
EPA Substance Registry System: 6 · Phenol, 6-amino-2,4-dichloro-3-methyl- (40677-44-9)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
TSCA: TSCA listed

Safety & regulation

GHS classification

GHS Classification · 4 items

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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.