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Benzoic acid,3,5-dibromo-4-methyl-

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Name

Benzoic acid,3,5-dibromo-4-methyl-

EINECS -0
CAS No. 67973-32-4 Density 1.951 g/cm3
PSA 37.30000 LogP 3.21820
Solubility N/A Melting Point 242 ºC
Formula C8H6Br2O2 Boiling Point 374.6 °C at 760 mmHg
Molecular Weight 293.942 Flash Point 180.3 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 67973-32-4 (3,5-DIBROMO-4-METHYLBENZOIC ACID) Hazard Symbols IrritantXi
Synonyms

p-Toluicacid, 3,5-dibromo- (6CI);3,5-Dibromo-4-methylbenzoic acid;3,5-Dibromo-p-toluic acid;

Article Data 1

Benzoic acid,3,5-dibromo-4-methyl- Specification

The Benzoic acid,3,5-dibromo-4-methyl-, with the CAS registry number 67973-32-4, is also known as 3,5-Dibromo-p-toluic acid. It belongs to the product categories of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic acid; Acids & Esters; Bromine Compounds. This chemical's molecular formula is C8H6Br2O2 and formula weight is 293.94. What's more, its systematic name is 3,5-dibromo-4-methylbenzoic acid. It should be sealed and stored in a cool and dry place and be protected from strong oxidizes.

Physical properties of Benzoic acid,3,5-dibromo-4-methyl- are: (1)ACD/LogP: 3.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.05; (4)ACD/LogD (pH 7.4): 0.88; (5)ACD/BCF (pH 5.5): 7.51; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 42.81; (8)ACD/KOC (pH 7.4): 2.86; (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: 1.627; (14)Molar Refractivity: 53.38 cm3; (15)Molar Volume: 150.6 cm3; (16)Surface Tension: 53.8 dyne/cm; (17)Density: 1.951 g/cm3; (18)Flash Point: 180.3 °C; (19)Enthalpy of Vaporization: 65.62 kJ/mol; (20)Boiling Point: 374.6 °C at 760 mmHg; (21)Vapour Pressure: 2.82E-06 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 sking. 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 protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(cc(Br)c1C)C(=O)O
(2)InChI: InChI=1S/C8H6Br2O2/c1-4-6(9)2-5(8(11)12)3-7(4)10/h2-3H,1H3,(H,11,12)
(3)InChIKey: SJCBUASMFSRONS-UHFFFAOYSA-N

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