CAS No.4707-24-8,4-BROMO-2,3,5,6-TETRAFLUOROBENZOIC ACID Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	4707-24-8
Name:	4-BROMO-2,3,5,6-TETRAFLUOROBENZOIC ACID
Article Data:	2

Formula:	C₇HBrF₄O₂
Molecular Weight:	272.981
Synonyms:	2,3,5,6-Tetrafluorobromobenzoic acid;4-Bromo-2,3,5,6-tetrafluorobenzoic acid;NSC 170060;
Density:	2.022 g/cm³
Melting Point:	142-145 °C(lit.)
Boiling Point:	260.9 °C at 760 mmHg
Flash Point:	111.6 °C
Solubility:	Insoluble in water.
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-37/39
PSA:	37.30000
LogP:	2.70370

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Specification

The Benzoicacid, 4-bromo-2,3,5,6-tetrafluoro-, with the CAS registry number 4707-24-8, is also known as 2,3,5,6-Tetrafluorobromobenzoic acid. This chemical's molecular formula is C₇HBrF₄O₂ and molecular weight is 272.98. What's more, its systematic name is 4-Bromo-2,3,5,6-tetrafluorobenzoic acid and it belongs to the product categories of C₇; Carbonyl Compounds; Carboxylic Acids. The product should be sealed and stored in cool and dry places and it should be protected from strong oxidizers.

Physical properties of Benzoicacid, 4-bromo-2,3,5,6-tetrafluoro- are: (1)ACD/LogP: 3.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.06; (4)ACD/LogD (pH 7.4): 0.01; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.517; (14)Molar Refractivity: 40.84 cm³; (15)Molar Volume: 134.9 cm³; (16)Polarizability: 16.19×10^-24cm³; (17)Surface Tension: 44.3 dyne/cm; (18)Density: 2.022 g/cm³; (19)Flash Point: 111.6 °C; (20)Enthalpy of Vaporization: 52.68 kJ/mol; (21)Boiling Point: 260.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00603 mmHg at 25°C.

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 need wear suitable 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)Br)F)F)C(=O)O
(2)InChI: InChI=1S/C7HBrF4O2/c8-2-5(11)3(9)1(7(13)14)4(10)6(2)12/h(H,13,14)
(3)InChIKey: MTZLICDXLGQWJV-UHFFFAOYSA-N