4-Tert-butyl-2-nitro-benzoic acid supplier

Name
4-Tert-butyl-2-nitro-benzoic acid
EINECS
CAS No. 103797-19-9
Article Data7
CAS DataBase
Density 1.236 g/cm³
Solubility
Melting Point 138-143 °C(Solv: benzene (71-43-2); hexane (110-54-3))
Formula C₁₁H₁₃NO₄
Boiling Point 338.8 °C at 760 mmHg
Molecular Weight 223.229
Flash Point 142.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms benzoic acid, 4-(1,1-dimethylethyl)-2-nitro-;
PSA 83.12000
LogP 3.11370

4-Tert-butyl-2-nitro-benzoic acid Specification

The CAS register number of 4-Tert-butyl-2-nitro-benzoic acid is 103797-19-9. It also can be called as benzoic acid, 4-(1,1-dimethylethyl)-2-nitro-. The molecular formula about this chemical is C11H13NO4 and the molecular weight is 223.23.

Physical properties about 4-Tert-butyl-2-nitro-benzoic acid are: (1)ACD/LogP: 3.25; (2)ACD/LogD (pH 5.5): 0.42; (3)ACD/LogD (pH 7.4): 0.1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.06; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 72.12 Å²; (12)Index of Refraction: 1.557; (13)Molar Refractivity: 58.11 cm³; (14)Molar Volume: 180.4 cm³; (15)Polarizability: 23.03x10^-24cm³; (16)Surface Tension: 47.1 dyne/cm; (17)Density: 1.236 g/cm³; (18)Flash Point: 142.7 °C; (19)Enthalpy of Vaporization: 61.45 kJ/mol; (20)Boiling Point: 338.8 °C at 760 mmHg; (21)Vapour Pressure: 3.72E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1c(ccc(c1)C(C)(C)C)C(=O)O
(2)InChI: InChI=1/C11H13NO4/c1-11(2,3)7-4-5-8(10(13)14)9(6-7)12(15)16/h4-6H,1-3H3,(H,13,14)
(3)InChIKey: WVADEHDXGNQZNV-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C11H13NO4/c1-11(2,3)7-4-5-8(10(13)14)9(6-7)12(15)16/h4-6H,1-3H3,(H,13,14)
(5)Std. InChIKey: WVADEHDXGNQZNV-UHFFFAOYSA-N

Product Name

4-Tert-butyl-2-nitro-benzoic acid

4-Tert-butyl-2-nitro-benzoic acid Specification

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