5-Bromo-2-methyl-3-nitrobenzoic acid supplier

Name
5-BROMO-2-METHYL-3-NITROBENZOIC ACID
EINECS
CAS No. 107650-20-4
Article Data29
CAS DataBase
Density 1.778 g/cm³
Solubility
Melting Point
Formula C₈H₆BrNO₄
Boiling Point 376.983 °C at 760 mmHg
Molecular Weight 260.044
Flash Point 181.793 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Bromo-2-methyl-3-nitrobenzoicacid;
PSA 83.12000
LogP 2.88710

5-Bromo-2-methyl-3-nitrobenzoic acid Specification

This chemical is called Benzoic acid, 5-bromo-2-methyl-3-nitro-, and its systematic name is 5-bromo-2-methyl-3-nitrobenzoic acid. With the molecular formula of C₈H₆BrNO₄, its molecular weight is 260.04. The CAS registry number of this chemical is 107650-20-4.

Other characteristics of the Benzoic acid, 5-bromo-2-methyl-3-nitro- can be summarised as followings: (1)ACD/LogP: 3.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 83.12 Å²; (12)Index of Refraction: 1.633; (13)Molar Refractivity: 52.244 cm³; (14)Molar Volume: 146.264 cm³; (15)Polarizability: 20.711×10^-24cm³; (16)Surface Tension: 63.584 dyne/cm; (17)Density: 1.778 g/cm³; (18)Flash Point: 181.793 °C; (19)Enthalpy of Vaporization: 65.899 kJ/mol; (20)Boiling Point: 376.983 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=[N+]([O-])c1cc(Br)cc(c1C)C(O)=
2.InChI: InChI=1/C8H6BrNO4/c1-4-6(8(11)12)2-5(9)3-7(4)10(13)14/h2-3H,1H3,(H,11,12)
3.InChIKey: DXUUJILVHXQDCV-UHFFFAOYAK

Product Name

5-BROMO-2-METHYL-3-NITROBENZOIC ACID

5-Bromo-2-methyl-3-nitrobenzoic acid Specification

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