3-Chloro-4-methoxytoluene

HCID 140873

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Basic information

CAS: 22002-44-4
Standard SMILES: COc1ccc(C)cc1Cl
InChIKey: VUZBRBKYGIQXMP-UHFFFAOYSA-N
Molecular formula: C8H9ClO
Average molar mass: 156.61 g/mol
Monoisotopic mass: 156.0341926

Names & identifiers

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

Names & synonyms

3-Chloro-4-methoxytoluene22002-44-4DTXSID90176440RefChem:93437DTXCID9098931674-037-1VUZBRBKYGIQXMP-UHFFFAOYSA-N2-Chloro-1-methoxy-4-methylbenzene2-Chloro-4-methylanisoleMFCD00060649SCHEMBL9463Benzene, 2-chloro-1-methoxy-4-methyl-

Show more names

2-Chloro-4-methylanisole 95%3-CHLORO-4-METHOXYTOLUENE 98%1-Methoxy-2-chloro-4-methylbenzeneBenzene,2-chloro-1-methoxy-4-methyl-

AKOS0063437046-Mercaptopyrimidin-4-ol2-CHLORO-1-METHOXY-4-METHYL-BENZENESCHEMBL96147SCHEMBL2089921SCHEMBL2089923SCHEMBL3336691SCHEMBL10664481

Database identifiers

CAS: 22002-44-4
PubChem CID: 140873
DTXSID: DTXSID90176440
EC Number: 674-037-1
Nikkaji: J32.124I

Properties

Computed structural properties

XLogP: 3
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

Physicochemical properties

Boiling point: 100 °C · 100 °C
Density: 1 · 1,14 g/cm3
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38-41
Safety Statements: 26 · 26-36/37/39-39
HazardClass: IRRITANT
HS Code: 2909309090 · 2909309090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Safety data

hs_code: 2909309090
risk_code: 36/37/38-41
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/37/39-39
hazard_class: IRRITANT
Hazard statements: H315-H319-H335
Precautionary statements: P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501