2,6-Dichloro-4-methylphenol

HCID 17077CAS 2432-12-4

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1cc(Cl)c(O)c(Cl)c1
InChIKey: YXEOEPYIBGTLML-UHFFFAOYSA-N
Molecular formula: C7H6Cl2O
Average molar mass: 177.02 g/mol
Monoisotopic mass: 175.97957017

Names & identifiers

Preferred name: 2,6-Dichloro-4-methylphenol
IUPAC: 2,6-dichloro-4-methylphenol
English name: 2,6-Dichloro-4-methylphenol
Molecular formula: C7H6Cl2O
Molecular weight: 177.03

Names & synonyms

2,6-Dichloro-4-methylphenol2,6-Dichloro-p-cresolPhenol, 2,6-dichloro-4-methyl-4-METHYL-2,6-DICHLOROPHENOLp-Cresol, 2,6-dichloro-MIP3UF5E7VNSC 407750UNII-MIP3UF5E7VNSC-407750DTXSID1062415YXEOEPYIBGTLML-UHFFFAOYSA-EINECS 219-402-4

Show more names

0/4/322,6-DichlorocresolPropofol Impurity 462,6-Dichloro-p-cresol>2,6-DICHLORO-P-CRESOL 96+%2,6-Dichloro-p-methylphenol2,6-dichloro-4-methyl-pheno

AI3-24009RefChem:83170DTXCID2037059p-Cresol, 2,6-dichloro-(8CI)InChI=1/C7H6Cl2O/c1-4-2-5(8)7(10)6(9)3-4/h2-3,10H,1H3YXEOEPYIBGTLML-UHFFFAOYSA-N2432-12-4MFCD00134679

Database identifiers

CAS: 2432-12-4
PubChem CID: 17077
DTXSID: DTXSID1062415
UNII: MIP3UF5E7V
EC Number: 219-402-4
Nikkaji: J28.703B

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 106

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

Physicochemical properties

Melting point: 39 °C · 39°C
Boiling point: 251.88 °C · 251.88°C (rough estimate)
Density: 1.297 · 1.2970 (rough estimate)
refractive index: 1.5625 · 1.5625 (estimate)
Flash point: 34 °C · 34 °C
storage temp.: 2 · 2-8°C
form: powder to lump
pka: 7.34 · 7.34±0.23(Predicted)
color: White to Almost white
Water Solubility: 283.3 mg/L · 283.3mg/L(25 ºC)
CAS DataBase Reference: 2432 · 2432-12-4(CAS DataBase Reference)
FDA UNII: 3 UF5E7V · MIP3UF5E7V
EPA Substance Registry System: 2 · 2,6-Dichloro-4-methylphenol (2432-12-4)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312
Precautionary statements: 264 · P264-P270-P280-P301+P312+P330-P302+P352+P312+P362+P364-P501
Risk Statements: 20 · 20/21/22
Safety Statements: 26 · 26-36/37/39
TSCA: TSCA listed
HS Code: 2908190090 · 2908190090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (93%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationCommission Regulation No 844/2012

Hazard Classes and CategoriesAcute Tox. 4 (93%)

Safety data

tsca: TSCA listed
hs_code: 2908190090
risk_code: 20/21/22
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36/37/39
Hazard statements: H302+H312
Precautionary statements: P264-P270-P280-P301+P312+P330-P302+P352+P312+P362+P364-P501