CAS 3260-88-6 3-Chloro-2-methylanisole (HCID 76749)

Names & identifiers

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

Names & synonyms

3260-88-63-Chloro-2-methylanisole1-chloro-3-methoxy-2-methylbenzene2-Chloro-6-methoxytolueneBENZENE, 1-CHLORO-3-METHOXY-2-METHYL-2-METHOXY-6-CHLOROTOLUENEB25BTP9CQMEINECS 221-862-6DTXSID10745996-chloro-2-methoxytolueneANISOLE, 3-CHLORO-2-METHYL-LTVRGAWOEOKGJZ-UHFFFAOYSA-

Show more names

3-chloro-2-methoxyanisole3-chloro-2-methylanisole,98%2-Chloro-6-methoxytoluene >1-Chloro-3-methoxy-2-methylbenzene3-chloro-2-methylbenzenemethylether

RefChem:499800DTXCID0038544221-862-6InChI=1/C8H9ClO/c1-6-7(9)4-3-5-8(6)10-2/h3-5H,1-2H32-Methyl-3-chloroanisoleMFCD00070772SY049178C13337

Database identifiers

CAS: 3260-88-6
PubChem CID: 76749
DTXSID: DTXSID1074599
UNII: B25BTP9CQM
EC Number: 221-862-6
Nikkaji: J262.360I

Properties

Computed structural properties

XLogP: 3.5
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

Melting point: -3 °C · -3°C
Boiling point: 213 · 213-217 °C (lit.)
Density: 1.16 g/mL · 1.16 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.42(lit.)
Flash point: 140 °F · 140 °F
storage temp.: Sealed in dry,Room Temperature
form: clear liquid
color: Colorless to Almost colorless
BRN: 1862220 · 1862220
InChI: 1S/C8H9ClO/c1-6-7(9)4-3-5-8(6)10-2/h3-5H,1-2H3
InChIKey: LTVRGAWOEOKGJZ-UHFFFAOYSA-N
SMILES: COc1cccc(Cl)c1C
CAS DataBase Reference: 3260 · 3260-88-6(CAS DataBase Reference)
FDA UNII: 25 BTP9CQM · B25BTP9CQM
EPA Substance Registry System: 1 · Benzene, 1-chloro-3-methoxy-2-methyl- (3260-88-6)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02
Signal word: Warning
Hazard statements: 226 · H226
Precautionary statements: 210 · P210-P233-P240-P241-P242-P243
PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
Hazard Codes: Xi
RIDADR: 1993 · UN 1993 3/PG 3
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 2909.5 · 2909.50.5000
HazardClass: 3 · 3
PackingGroup: III
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 3 · Flam. Liq. 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 63 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 2 items

Benzene, 1-chloro-3-methoxy-2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1-chloro-3-methoxy-2-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 3
hs_code: 2909.50.5000
Signal word: Warning
Symbol(GHS): GHS02
hazard_code: Xi
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: III
Hazard statements: H226
Hazard Classifications: Flam. Liq. 3
Precautionary statements: P210-P233-P240-P241-P242-P243

Chemistry & industry

Uses & manufacturing

U.S. Production2021: 105,822 lb

General Manufacturing InformationBenzene, 1-chloro-3-methoxy-2-methyl-: ACTIVE

Applications

UsesArene-manganese tricarbonyl complexes are prepared using 3-Chloro-2-methylanisole.

General Description3-Chloro-2-methylanisole can be prepared via trifluoroacetic (TFA) anhydride reaction. Enthalpy of vaporization of 3-chloro-2-methylanisole at boiling point (488.15K) is 42.747kjoule/mol.