1-Chloro-4-methoxy-2-methylbenzene

HCID 458156

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Basic information

CAS: 13334-71-9
Standard SMILES: COc1ccc(Cl)c(C)c1
InChIKey: SDGMUBWPXBSKCT-UHFFFAOYSA-N
Molecular formula: C8H9ClO
Average molar mass: 156.61 g/mol
Monoisotopic mass: 156.03419259

Names & identifiers

Preferred name: 1-Chloro-4-methoxy-2-methylbenzene
IUPAC: 1-chloro-4-methoxy-2-methylbenzene
English name: 4-Chloro-3-methylanisole
Molecular formula: C8H9ClO
Molecular weight: 156.61

Names & synonyms

1-Chloro-4-methoxy-2-methylbenzeneRefChem:431416634-339-64-Chloro-3-methylanisole13334-71-9Benzene, 1-chloro-4-methoxy-2-methyl-MFCD000867002-CHLORO-5-METHOXYTOLUENE1-chloro-4-methoxy-2-methyl-benzene3-methoxy-6-chlorotolueneSCHEMBL130126DTXSID60332475

Show more names

4-Chloro-3-methylanisole,99%4-Chloro-3-methyl anisole, 98+ %

AKOS0049073361-Chloro-4-methoxy-2-methylbenzene #AS-63069EN300-99155Z54850187AM9804Benzene,1-chloro-4-methoxy-2-methyl-p-Chlor-m-Kresolmethylather

Database identifiers

CAS: 13334-71-9
PubChem CID: 458156
DTXSID: DTXSID60332475
EC Number: 634-339-6
Nikkaji: J1.595.206G

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 105

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Boiling point: 213 · 213-214°C
Density: 1.095 · 1.0950 (rough estimate)
refractive index: 1.534 · 1.534-1.536
Flash point: 213 · 213-214°C
storage temp.: Sealed in dry,Room Temperature
Appearance: Colorless to light yellow Liquid
CAS DataBase Reference: 13334 · 13334-71-9(CAS DataBase Reference)
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
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 24 · 24/25
HS Code: 29093038 · 29093038

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (85.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.