CAS No.6967-82-4,2-BROMO-5-METHYLBENZOIC ACID Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	6967-82-4
Name:	2-BROMO-5-METHYLBENZOIC ACID
Article Data:	4

Formula:	C₈H₇BrO₂
Molecular Weight:	215.046
Synonyms:	m-Toluicacid, 6-bromo- (6CI,7CI,8CI);NSC 20686;
Density:	1.599 g/cm³
Melting Point:	139-141 °C
Boiling Point:	311.6 °C at 760 mmHg
Flash Point:	142.3 °C
Appearance:	white powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	37.30000
LogP:	2.45570

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Specification

This chemical is called Benzoic acid, 2-bromo-5-methyl-, and its systematic name is 2-bromo-5-methylbenzoic acid. With the molecular formula of C₈H₇BrO₂, its molecular weight is 215.04. The CAS registry number of this chemical is 6967-82-4. Additionally, its product categories are Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic Acid; Acids & Esters; Bromine Compounds.

Other characteristics of the Benzoic acid, 2-bromo-5-methyl- can be summarised as followings: (1)ACD/LogP: 2.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.13; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.09; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 26.3 Å²; (12)Index of Refraction: 1.595; (13)Molar Refractivity: 45.69 cm³; (14)Molar Volume: 134.4 cm³; (15)Polarizability: 18.11×10^-24cm³; (16)Surface Tension: 50 dyne/cm; (17)Density: 1.599 g/cm³; (18)Flash Point: 142.3 °C; (19)Enthalpy of Vaporization: 58.34 kJ/mol; (20)Boiling Point: 311.6 °C at 760 mmHg; (21)Vapour Pressure: 0.000239 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c1cc(ccc1Br)C
2.InChI: InChI=1/C8H7BrO2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)
3.InChIKey: ZXMISUUIYPFORW-UHFFFAOYAW