CAS No.101513-77-3,3-Chloro-2,4,5-trifluorobenzoic acid Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	101513-77-3
Name:	3-Chloro-2,4,5-trifluorobenzoic acid
Article Data:	7

Formula:	C₇H₂ClF₃O₂
Molecular Weight:	210.54
Synonyms:	2,4,5-Trifluoro-3-chlorobenzoic acid;
EINECS:	630-223-4
Density:	1.663 g/cm³
Melting Point:	112-116 °C
Boiling Point:	272 °C at 760 mmHg
Flash Point:	118.3 °C
Appearance:	white to light yellow powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-37/39
PSA:	37.30000
LogP:	2.45550

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Specification

The Benzoic acid,3-chloro-2,4,5-trifluoro-, with the CAS registry number 101513-77-3, is also known as ZINC02526219. It belongs to the product categories of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic Acid; Heterocyclic Compounds; C7; Carbonyl Compounds; Carboxylic Acids. This chemical's molecular formula is C₇H₂ClF₃O₂ and molecular weight is 210.54. Its IUPAC name is called 3-chloro-2,4,5-trifluorobenzoate. This chemical is white to light yellow powder. The product should be sealed and stored in cool and dry place. What's more, it should be protected from strong oxides.

Physical properties of Benzoic acid,3-chloro-2,4,5-trifluoro-: (1)ACD/LogP: 3.10; (2)ACD/LogD (pH 5.5): 0.33; (3)ACD/LogD (pH 7.4): -0.04; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.98; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.513; (12)Molar Refractivity: 38.05 cm³; (13)Molar Volume: 126.5 cm³; (14)Surface Tension: 44.3 dyne/cm; (15)Density: 1.663 g/cm³; (16)Flash Point: 118.3 °C; (17)Enthalpy of Vaporization: 53.9 kJ/mol; (18)Boiling Point: 272 °C at 760 mmHg; (19)Vapour Pressure: 0.00306 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. 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. Whenever you will contact it, please 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)F)Cl)F)C(=O)[O-]
(2)InChI: InChI=1S/C7H2ClF3O2/c8-4-5(10)2(7(12)13)1-3(9)6(4)11/h1H,(H,12,13)/p-1
(3)InChIKey: KBESHLYCSZINAJ-UHFFFAOYSA-M