Benzoic acid, 2-bromo-4-nitro- supplier

Name
2-BROMO-4-NITROBENZOIC ACID
EINECS
CAS No. 16426-64-5
Article Data22
CAS DataBase
Density 1.892
Solubility
Melting Point 165-168 °C
Formula C₇H₄BrNO₄
Boiling Point 381.6 °C at 760 mmHg
Molecular Weight 246.017
Flash Point 184.6°C
Transport Information
Appearance light brown solid
Safety
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Bromo-4-nitrobenzoicacid;NSC 227965;2-bromo-4-nitrobenzoic acid;
PSA 83.12000
LogP 2.57870

Benzoic acid, 2-bromo-4-nitro- Specification

This chemical is called Benzoic acid, 2-bromo-4-nitro-, and its systematic name is 2-Bromo-4-nitrobenzoic acid. With the molecular formula of C₇H₄BrNO₄, its molecular weight is 246.02. The CAS registry number of this chemical is 16426-64-5. Additionally, its product categories are Blocks; Bromides; Carboxes; Aromatics Compounds;Aromatics. It should be kept cold.

Other characteristics of the Benzoic acid, 2-bromo-4-nitro- can be summarised as followings: (1)ACD/LogP: 1.95; (2)# of Rule of 5 Violations: 0 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 72.12 Å²; (11)Index of Refraction: 1.65; (12)Molar Refractivity: 47.41 cm³; (13)Molar Volume: 129.9 cm³; (14)Polarizability: 18.79×10^-24cm³; (15)Surface Tension: 69.5 dyne/cm; (16)Density: 1.892 g/cm³; (17)Flash Point: 184.6 °C; (18)Enthalpy of Vaporization: 66.45 kJ/mol; (19)Boiling Point: 381.6 °C at 760 mmHg; (20)Vapour Pressure: 1.67E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c1ccc(cc1Br)[N+]([O-])=O
2.InChI: InChI=1/C7H4BrNO4/c8-6-3-4(9(12)13)1-2-5(6)7(10)11/h1-3H,(H,10,11)
3.InChIKey: CEXGTXNIIFSPSF-UHFFFAOYAS

Product Name

2-BROMO-4-NITROBENZOIC ACID

Benzoic acid, 2-bromo-4-nitro- Specification

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