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Benzoic acid,3-chloro-5-nitro-

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Benzoic acid,3-chloro-5-nitro-

EINECS N/A
CAS No. 34662-36-7 Density 1.602 g/cm3
PSA 83.12000 LogP 2.46960
Solubility N/A Melting Point N/A
Formula C7H4ClNO4 Boiling Point 351.1 °C at 760 mmHg
Molecular Weight 201.566 Flash Point 166.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 34662-36-7 (3-chloro-5-nitro-benzoic acid) Hazard Symbols N/A
Synonyms

3-Chloro-5-nitrobenzoic acid;3-Nitro-5-chlorobenzoic acid;NSC 6112;

Article Data 7

Benzoic acid,3-chloro-5-nitro- Specification

The Benzoic acid,3-chloro-5-nitro-, with the CAS registry number 34662-36-7, is also known as 3-Nitro-5-chlorobenzoic acid. This chemical's molecular formula is C7H4ClNO4 and molecular weight is 201.56. What's more, its systematic name is 3-Chloro-5-nitrobenzoic acid and it should be stored at room temperature.

Physical properties of Benzoic acid,3-chloro-5-nitro- are: (1)ACD/LogP: 2.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.6; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 4.43; (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: 72.12 Å2; (12)Index of Refraction: 1.627; (13)Molar Refractivity: 44.62 cm3; (14)Molar Volume: 125.7 cm3; (15)Polarizability: 17.69×10-24 cm3; (16)Surface Tension: 67.7 dyne/cm; (17)Density: 1.602 g/cm3; (18)Flash Point: 166.1 °C; (19)Enthalpy of Vaporization: 62.87 kJ/mol; (20)Boiling Point: 351.1 °C at 760 mmHg; (21)Vapour Pressure: 1.56E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cc(cc(Cl)c1)C(=O)O
(2)InChI: InChI=1S/C7H4ClNO4/c8-5-1-4(7(10)11)2-6(3-5)9(12)13/h1-3H,(H,10,11)
(3)InChIKey: YLQAJBKACBLUCM-UHFFFAOYSA-N

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