CAS 82830-49-7 2-Fluoro-1,4-dimethoxybenzene (HCID 145002)

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Basic information

CAS: 82830-49-7
Standard SMILES: COc1ccc(OC)c(F)c1
InChIKey: WNCYZVMZKSOPMU-UHFFFAOYSA-N
Molecular formula: C8H9FO2
Average molar mass: 156.15 g/mol
Monoisotopic mass: 156.05865775

Names & identifiers

Preferred name: 2-Fluoro-1,4-dimethoxybenzene
IUPAC: 2-fluoro-1,4-dimethoxybenzene
English name: 1,4-Dimethoxy-2-fluorobenzene
Molecular formula: C8H9FO2
Molecular weight: 156.15

Names & synonyms

2-Fluoro-1,4-dimethoxybenzeneRefChem:472130617-387-282830-49-71,4-Dimethoxy-2-fluorobenzene2,5-DimethoxyfluorobenzeneMFCD00042487Benzene, 2-fluoro-1,4-dimethoxy-SCHEMBL3704082-fluoro-1,4-dimethoxy-benzeneDTXSID00232021AKOS005063472

Show more names

1,4-Dimethoxy-2-fL2,5-DiMethoxyfluorobenze4-DiMethoxy-2-fluorobenzene1,4-Dimethoxy-2-fluorobenzene98%2-Fluoro-1,4-dimethoxybenzene>

SY011252F0633EN300-1081082,5-dimethoxy-1-fluorobenzene1,4-Dimethoxy-2-FT-0626479A8404603-fluoro-1,4-dimethoxybenzene

Database identifiers

CAS: 82830-49-7
PubChem CID: 145002
DTXSID: DTXSID00232021
EC Number: 617-387-2
Nikkaji: J267.459I

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 119

Physicochemical properties

Melting point: 23 · 23-26 °C
Boiling point: 119 · 119-121°C 40mm
Density: 1.1375 · 1.1375 (estimate)
refractive index: 1.5038 · 1.5038
Flash point: 119 · 119-121°C/40mm
storage temp.: Sealed in dry,Room Temperature
form: powder to lump
color: Light yellow to Brown
Water Solubility: Insoluble in water.
BRN: 6387735 · 6387735
InChI: InChI=1S/C8H9FO2/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5H,1-2H3
InChIKey: WNCYZVMZKSOPMU-UHFFFAOYSA-N
SMILES: C1(OC)=CC=C(OC)C=C1F
CAS DataBase Reference: 82830 · 82830-49-7(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (83%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, 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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (83%)

Safety data

hs_code: 29093090
risk_code: 36/37/38-36/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 24/25-60-37-26
Hazard statements: H315-H319
Precautionary statements: P264-P280a-P305+P351+P338-P321-P332+P313-P337+P313

Chemistry & industry

Applications

Uses2-Fluoro-1,4-dimethoxybenzene is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.