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CAS No.: | 16426-64-5 |
---|---|
Name: | 2-BROMO-4-NITROBENZOIC ACID |
Article Data: | 22 |
Molecular Structure: | |
Formula: | C7H4BrNO4 |
Molecular Weight: | 246.017 |
Synonyms: | 2-Bromo-4-nitrobenzoicacid;NSC 227965;2-bromo-4-nitrobenzoic acid; |
Density: | 1.892 |
Melting Point: | 165-168 °C |
Boiling Point: | 381.6 °C at 760 mmHg |
Flash Point: | 184.6°C |
Appearance: | light brown solid |
Hazard Symbols: | Xi |
Risk Codes: | Xi:; "> Xi:; |
PSA: | 83.12000 |
LogP: | 2.57870 |
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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