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4-Bromo-3-chlorobenzoic acid

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Name

4-Bromo-3-chlorobenzoic acid

EINECS N/A
CAS No. 25118-59-6 Density 1.81 g/cm3
PSA 37.30000 LogP 2.80070
Solubility N/A Melting Point 220-224 °C
Formula C7H4BrClO2 Boiling Point 333.686 °C at 760 mmHg
Molecular Weight 235.465 Flash Point 155.608 °C
Transport Information UN 2811 6.1/PG 3 Appearance N/A
Safety 60-61 Risk Codes 22-50/53
Molecular Structure Molecular Structure of 25118-59-6 (4-BROMO-3-CHLOROBENZOIC ACID) Hazard Symbols HarmfulXn,IrritantXi
Synonyms

3-chloro-4-Bromor-benzoic acid

Article Data 7

4-Bromo-3-chlorobenzoic acid Specification

This chemical is called Benzoic acid, 4-bromo-3-chloro-, and its systematic name is 4-bromo-3-chlorobenzoic acid. With the molecular formula of C7H4BrClO2, its product categories are C7; Carbonyl Compounds; Carboxylic Acids. The CAS registry number of this chemical is 25118-59-6. In addition, this chemical should be sealed in the cool and dry plcace, away from oxides. 

Other characteristics of the Benzoic acid, 4-bromo-3-chloro- can be summarised as followings: (1)ACD/LogP: 3.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.9; (4)ACD/LogD (pH 7.4): 0.71; (5)ACD/BCF (pH 5.5): 5.76; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 35.62; (8)ACD/KOC (pH 7.4): 2.34; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.3 Å2; (13)Index of Refraction: 1.621; (14)Molar Refractivity: 45.76 cm3; (15)Molar Volume: 130 cm3; (16)Polarizability: 18.14×10-24cm3; (17)Surface Tension: 55.9 dyne/cm; (18)Density: 1.809 g/cm3; (19)Flash Point: 155.6 °C; (20)Enthalpy of Vaporization: 60.86 kJ/mol; (21)Boiling Point: 333.7 °C at 760 mmHg; (22)Vapour Pressure: 5.32E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Its container must be disposed of as hazardous waste. Avoid releasing it to the environment. In addition, it's harmful if swallowed. Refer to special instructions / safety data sheets.

You can still convert the following datas into molecular structure:
1.SMILES: Clc1cc(ccc1Br)C(O)=O
2.InChI: InChI=1/C7H4BrClO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)
3.InChIKey: PSKJIHDVFDVNBU-UHFFFAOYAH

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