Basic information
- Name:
3-Bromoanisole
- CAS No.:
2398-37-0
- Molecular Structure:
- Formula:
- C7H7BrO
- Molecular Weight:
- 187.04
- Synonyms:
- Anisole,m-bromo- (6CI,7CI,8CI);1-Bromo-3-methoxybenzene;3-Methoxy-1-bromobenzene;3-Methoxyphenyl bromide;NSC82293;m-Anisyl bromide;m-Bromoanisole;m-Methoxybromobenzene;
- EINECS:
- 219-264-5
- Density:
- 1.442 g/cm3
- Melting Point:
- 2 °C
- Boiling Point:
- 210.5 °C at 760 mmHg
- Flash Point:
- 93.3 °C
- Appearance:
- colorless clear liquid
- Hazard Symbols:
Xi- Safety Description:
- 23-24/25 Details
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Chemistry
Molecule structure of 3-Bromoanisole (CAS NO.2398-37-0):
IUPAC Name: 1-Bromo-3-methoxybenzene
Molecular Weight: 187.03388 g/mol
Molecular Formula: C7H7BrO
Density: 1.442 g/cm3
Melting Point: 2 °C
Boiling Point: 210.5 °C at 760 mmHg
Flash Point: 93.3 °C
Index of Refraction: 1.539
Molar Refractivity: 40.62 cm3
Molar Volume: 129.6 cm3
Surface Tension: 34.6 dyne/cm
Enthalpy of Vaporization: 42.86 kJ/mol
Vapour Pressure: 0.278 mmHg at 25 °C
XLogP3: 3
H-Bond Acceptor: 1
Rotatable Bond Count: 1
Exact Mass: 185.968027
MonoIsotopic Mass: 185.968027
Topological Polar Surface Area: 9.2
Heavy Atom Count: 9
Canonical SMILES: COC1=CC(=CC=C1)Br
InChI: InChI=1S/C7H7BrO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3
InChIKey: PLDWAJLZAAHOGG-UHFFFAOYSA-N
EINECS: 219-264-5
Product Categories: Aromatics Compounds; Tramadol; Aromatics
Uses
3-Bromoanisole (CAS NO.2398-37-0) is used in organic synthesis.
Safety Profile
Hazard Codes: 
Xi
Safety Statements: 23-24/25
S23:Do not breathe vapour.
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
F: 8
Hazard Note: Irritant
TSCA: T
HS Code: 29093038
Specification
3-Bromoanisole (CAS NO.2398-37-0) is also named as 1-Bromo-3-methoxybenzene ; 3-Methoxy-1-bromobenzene ; 3-Methoxybromobenzene ; NSC 82293 ; m-Bromoanisole ; m-Bromomethoxybenzene ; m-Bromophenyl methyl ether ; m-Methoxybromobenzene . 3-Bromoanisole (CAS NO.2398-37-0) is colorless clear liquid.
