CAS No.16817-43-9,5-BROMO-2-CHLOROANISOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	16817-43-9
Name:	5-BROMO-2-CHLOROANISOLE
Article Data:	3

Formula:	C₇H₆BrClO
Molecular Weight:	221.481
Synonyms:	Anisole,5-bromo-2-chloro- (8CI);2-Chloro-5-bromoanisole;4-Bromo-1-chloro-2-methoxybenzene;4-Chloro-3-methoxybromobenzene;5-Bromo-2-chloro-1-methoxybenzene;
Density:	1.564 g/cm³
Melting Point:	27-28 °C
Boiling Point:	231.9 °C at 760 mmHg
Flash Point:	94.1 °C
Solubility:	Soluble in water.
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	9.23000
LogP:	3.11110

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Specification

The Benzene,4-bromo-1-chloro-2-methoxy-, with the CAS registry number 16817-43-9, is also known as 5-Bromo-2-chloroanisole. It belongs to the product categories of Anisole; Anisoles, Alkyloxy Compounds & Phenylacetates; Bromine Compounds; Chlorine Compounds; Ethers; Organic Building Blocks; Oxygen Compounds. This chemical's molecular formula is C₇H₆BrClO and formula weight is 221.48. What's more, its IUPAC name is 4-bromo-1-chloro-2-methoxybenzene.

Physical properties of Benzene,4-bromo-1-chloro-2-methoxy- are: (1)ACD/LogP: 3.51; (2)ACD/LogD (pH 7.4): 3.51; (3)ACD/BCF (pH 7.4): 273.36; (4)ACD/KOC (pH 5.5): 1931.17; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 9.23 Å²; (9)Index of Refraction: 1.556; (10)Molar Refractivity: 45.51 cm³; (11)Molar Volume: 141.5 cm³; (12)Surface Tension: 37.4 dyne/cm; (13)Density: 1.564 g/cm³; (14)Flash Point: 94.1 °C; (15)Enthalpy of Vaporization: 44.96 kJ/mol; (16)Boiling Point: 231.9 °C at 760 mmHg; (17)Vapour Pressure: 0.0922 mmHg at 25°C.

Uses of Benzene,4-bromo-1-chloro-2-methoxy-: it can be used to produce 4-chloro-3-methoxy-benzonitrile at the temperature of 110°C. It will need solvent dimethylformamide with the reaction time of 24 hours. The yield is about 55%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you should wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(OC)cc(Br)cc1
(2)InChI: InChI=1S/C7H6BrClO/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,1H3
(3)InChIKey: UAMVKOTWSHJOSY-UHFFFAOYSA-N