3-Bromo-4-nitrobenzoic acid supplier

Name
3-BROMO-4-NITROBENZOIC ACID 97
EINECS
CAS No. 101420-81-9
Density 1.893 g/cm³
Solubility
Melting Point 200-204 °C
Formula C₇H₄BrNO₄
Boiling Point 364.43 °C at 760 mmHg
Molecular Weight 246.017
Flash Point 174.202 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 4-Nitro-3-bromobenzoic acid;
PSA 83.12000
LogP 2.57870

3-Bromo-4-nitrobenzoic acid Specification

This chemical is called Benzoic acid, 3-bromo-4-nitro-, and its systematic name is 3-bromo-4-nitrobenzoic acid. With the molecular formula of C₇H₄BrNO₄, its product categories are Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; C7; Carbonyl Compounds. The CAS registry number of this chemical is 101420-81-9. In addition, this chemical should be sealed in the cool and dry place, away from oxides.

Other characteristics of the Benzoic acid, 3-bromo-4-nitro- can be summarised as followings: (1)ACD/LogP: 2.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.12; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.25; (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: 1.65; (13)Molar Refractivity: 47.41 cm³; (14)Molar Volume: 129.9 cm³; (15)Polarizability: 18.79×10^-24cm³; (16)Surface Tension: 69.5 dyne/cm; (17)Density: 1.892 g/cm³; (18)Flash Point: 174.2 °C; (19)Enthalpy of Vaporization: 64.42 kJ/mol; (20)Boiling Point: 364.4 °C at 760 mmHg; (21)Vapour Pressure: 5.97E-06 mmHg at 25°C.

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

Product Name

3-BROMO-4-NITROBENZOIC ACID 97

3-Bromo-4-nitrobenzoic acid Specification

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