4-Bromo-2-chloroanisole supplier

Name
4-Bromo-2-chloroanisole
EINECS 256-672-2
CAS No. 50638-47-6
Article Data36
CAS DataBase
Density 1.564 g/cm³
Solubility
Melting Point 68.5-70.5 °C
Formula C₇H₆BrClO
Boiling Point 242.1 °C at 760 mmHg
Molecular Weight 221.481
Flash Point 100.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Bromo-3-chloro-4-methoxybenzene;2-Chloro-4-bromoanisole;3-Chloro-4-methoxyphenyl bromide;4-Bromo-2-chloro-1-methoxybenzene;4-Bromo-2-chloroanisole;
PSA 9.23000
LogP 3.11110

4-Bromo-2-chloroanisole Specification

The Benzene, 4-bromo-2-chloro-1-methoxy-, with the CAS registry number 50638-47-6, is also known as 4-Bromo-2-chloroanisole. It belongs to the product categories of Anisole; Anisoles, Alkyloxy Compounds & Phenylacetates; Bromine Compounds; Chlorine Compounds. And its EINECS registry number is 256-672-2. This chemical's molecular formula is C₇H₆BrClO and molecular weight is 221.48. What's more, its IUPAC name is 4-Bromo-2-chloro-1-methoxybenzene. In addition, it can be stored at room temperature.

Physical properties about Benzene, 4-bromo-2-chloro-1-methoxy- are: (1)ACD/LogP: 3.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.66; (4)ACD/LogD (pH 7.4): 3.66; (5)ACD/BCF (pH 5.5): 356.39; (6)ACD/BCF (pH 7.4): 356.39; (7)ACD/KOC (pH 5.5): 2334.95; (8)ACD/KOC (pH 7.4): 2334.95; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 45.51 cm³; (15)Molar Volume: 141.5 cm³; (16)Polarizability: 18.04×10^-24 cm³; (17)Surface Tension: 37.4 dyne/cm; (18)Density: 1.564 g/cm³; (19)Flash Point: 100.2 °C; (20)Enthalpy of Vaporization: 45.97 kJ/mol; (21)Boiling Point: 242.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0538 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc(Cl)c(OC)cc1
(2) InChI: InChI=1/C7H6BrClO/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3
(3) InChIKey: FPIQNBOUYZLESW-UHFFFAOYAZ

Product Name

4-Bromo-2-chloroanisole

4-Bromo-2-chloroanisole Specification

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