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CAS No.: | 60633-25-2 |
---|---|
Name: | 2-Bromo-4-chloroanisole |
Article Data: | 28 |
Molecular Structure: | |
Formula: | C7H6BrClO |
Molecular Weight: | 221.481 |
Synonyms: | 1-Bromo-5-chloro-2-methoxybenzene;2-Bromo-4-chloro-1-methoxybenzene;2-Bromo-4-chloroanisole;4-Chloro-2-bromoanisole; |
Density: | 1.564 g/cm3 |
Melting Point: | 28.6-29.1 °C |
Boiling Point: | 238.5 °C at 760 mmHg |
Flash Point: | 98 °C |
Appearance: | Clear colorless to pale yellow liquid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 24/25 |
PSA: | 9.23000 |
LogP: | 3.11110 |
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The 2-Bromo-4-Chloroanisole is an organic compound with the formula C7H6BrClO. The IUPAC name of this chemical is 2-bromo-4-chloro-1-methoxybenzene. With the CAS registry number 60633-25-2, it is also named as Benzene, 2-bromo-4-chloro-1-methoxy-. The product's categories are Anisole ;Anisoles, Alkyloxy Compounds & Phenylacetates; Bromine Compounds; Chlorine Compounds. Besides, it is a clear colorless to pale yellow liquid, which should be stored in a closed cool and dry place.
Physical properties about 2-Bromo-4-Chloroanisole are: (1)ACD/LogP: 3.34; (2)ACD/LogD (pH 5.5): 3.34; (3)ACD/LogD (pH 7.4): 3.34; (4)ACD/BCF (pH 5.5): 204.03; (5)ACD/BCF (pH 7.4): 204.03; (6)ACD/KOC (pH 5.5): 1566.37; (7)ACD/KOC (pH 7.4): 1566.37; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 9.23 Å2; (11)Index of Refraction: 1.556; (12)Molar Refractivity: 45.51 cm3; (13)Molar Volume: 141.5 cm3; (14)Polarizability: 18.04×10-24cm3; (15)Surface Tension: 37.4 dyne/cm; (16)Density: 1.564 g/cm3; (17)Flash Point: 98 °C; (18)Enthalpy of Vaporization: 45.61 kJ/mol; (19)Boiling Point: 238.5 °C at 760 mmHg; (20)Vapour Pressure: 0.0651 mmHg at 25°C.
Preparation: this chemical can be prepared by 1-chloro-4-methoxy-benzene. This reaction will need reagent carbon disulfide, water and bromine .
Uses of 2-Bromo-4-Chloroanisole: it can be used to produce 5,3',4'-trichloro-2-methoxy-biphenyl at temperature of 20 °C. This reaction is a kind of Suzuki cross-coupling reaction. It will need reagent Na2CO3, H2O2 and solvent toluene, ethanol with reaction time of 4 hours. The yield is about 91%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(Cl)ccc1OC
(2)InChI: InChI=1/C7H6BrClO/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,1H3
(3)InChIKey: YJEMGEBDXDPBSP-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C7H6BrClO/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,1H3
(5)Std. InChIKey: YJEMGEBDXDPBSP-UHFFFAOYSA-N