4-Bromoanisole , 99% , 104-92-7

Synonym(s):
1-Bromo-4-methoxybenzene

CAS NO.：104-92-7

Empirical Formula: C7H7BrO

Molecular Weight: 187.03

MDL number: MFCD00000097

EINECS: 203-252-1

PRODUCT Properties

• Melting point: 9-10 °C (lit.)
• Boiling point: 223 °C (lit.)
• Density: 1.494 g/mL at 25 °C (lit.)
• refractive index: n20/D 1.564(lit.)
• Flash point: 202 °F
• storage temp.: Store below +30°C.
• solubility: Chloroform (Sparingly), Ethyl Acetate (Slightly)
• form: Liquid
• color: Clear colorless to slightly yellow
• Water Solubility: immiscible
• Merck: 14,1428
• BRN: 1237590
• Henry's Law Constant: 1.1×10^-2 mol/(m³Pa) at 25℃, Pfeifer et al. (2001)
• Dielectric constant: 7.4000000000000004
• Stability: Stable. Combustible. Incompatible with strong oxidizing agents.
• InChI: 1S/C7H7BrO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
• InChIKey: QJPJQTDYNZXKQF-UHFFFAOYSA-N
• SMILES: COc1ccc(Br)cc1
• CAS DataBase Reference: 104-92-7(CAS DataBase Reference)
• NIST Chemistry Reference: Benzene, 1-bromo-4-methoxy-(104-92-7)
• EPA Substance Registry System: Benzene, 1-bromo-4-methoxy- (104-92-7)

Description and Uses

4-Bromoanisole finds application as an intermediate in synthetic chemistry. It is used in the preparation of aryl 1,3-diketones and ethyl 4-methoxycinnamate. It is a used as a brominating reagent. Further, it is used in Suzuki coupling reaction with phenylboronic acid as well as in Heck reaction.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H303-H315
• Precautionary statements: P264-P280-P302+P352-P312-P362+P364-P332+P313
• PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
• Hazard Codes: Xn
• Safety Statements: 23-24/25
• WGK Germany: 2
• RTECS: BZ8501000
• F: 8
• TSCA: TSCA listed
• HS Code: 29093038
• Storage Class: 10 - Combustible liquids
• Hazard Classifications: Acute Tox. 4 Oral; Skin Irrit. 2
• Toxicity: LD50 orl-mus: 2200 mg/kg GISAAA 44(12),19,79
• REACH Registrations: Active