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115549-13-8

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Basic Information
CAS No.: 115549-13-8
Name: 3-AMINO-2,4-DICHLORO-5-FLUORO-BENZOIC ACID
Molecular Structure:
Molecular Structure of 115549-13-8 (3-AMINO-2,4-DICHLORO-5-FLUORO-BENZOIC ACID)
Formula: C7H4Cl2FNO2
Molecular Weight: 224.02
Synonyms: 3-Amino-2,4-dichloro-5-fluorobenzoic acid;3-Amino-2,4-dichloro-5-fluoro-benzoic acid;
Density: 1.692 g/cm3
Melting Point: 184-187 °C(Solv: toluene (108-88-3))
Boiling Point: 359.3 °C at 760 mmHg
Flash Point: 171.1 °C
Risk Codes: 20/21/22-36/37/38
Safety: 22-36/37/39
PSA: 63.32000
LogP: 2.99410
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Specification

The Benzoic acid,3-amino-2,4-dichloro-5-fluoro-, with the CAS registry number 115549-13-8, is also known as 3-Amino-2,4-dichloro-5-fluoro-benzoic acid. This chemical's molecular formula is C7H4Cl2FNO2 and molecular weight is 224.02. What's more, its systematic name is 3-Amino-2,4-dichloro-5-fluorobenzoic acid.

Physical properties of Benzoic acid,3-amino-2,4-dichloro-5-fluoro- are: (1)ACD/LogP: 3.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.41; (4)ACD/LogD (pH 7.4): 0.03; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.16; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 63.32 Å2; (13)Index of Refraction: 1.631; (14)Molar Refractivity: 47.2 cm3; (15)Molar Volume: 132.3 cm3; (16)Polarizability: 18.71×10-24 cm3; (17)Surface Tension: 63.8 dyne/cm; (18)Density: 1.692 g/cm3; (19)Flash Point: 171.1 °C; (20)Enthalpy of Vaporization: 63.82 kJ/mol; (21)Boiling Point: 359.3 °C at 760 mmHg; (22)Vapour Pressure: 8.67E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed and it is irritating to eyes, respiratory system and skin. When using it, you can't breathe dust and you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C(=C(C(=C1F)Cl)N)Cl)C(=O)O
(2)InChI: InChI=1S/C7H4Cl2FNO2/c8-4-2(7(12)13)1-3(10)5(9)6(4)11/h1H,11H2,(H,12,13)
(3)InChIKey: UUWRGHXQVQUWHR-UHFFFAOYSA-N