2-(Dimethylamino)-5-nitrobenzoic acid supplier

Name
2-(DIMETHYLAMINO)-5-NITROBENZOIC ACID
EINECS
CAS No. 4405-28-1
Article Data5
CAS DataBase
Density 1.384 g/cm³
Solubility
Melting Point
Formula C₉H₁₀N₂O₄
Boiling Point 387.1 °C at 760 mmHg
Molecular Weight 210.189
Flash Point 187.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(Dimethylamino)-5-nitrobenzoic acid;2-Carboxy-4-nitro-N,N-dimethylaniline;
PSA 86.36000
LogP 1.88220

2-(Dimethylamino)-5-nitrobenzoic acid Specification

The Benzoic acid, 2-(dimethylamino)-5-nitro-, with the CAS registry number 4405-28-1, is also known as 2-Carboxy-4-nitro-N, N-dimethylaniline. This chemical's molecular formula is C₉H₁₀N₂O₄ and molecular weight is 210.06. What's more, its systematic name is 2-(Dimethylamino)-5-nitrobenzoic acid.

Physical properties about Benzoic acid, 2-(dimethylamino)-5-nitro- are: (1)ACD/LogP: 2.29; (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: 6; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 75.36 Å²; (11)Index of Refraction: 1.63; (12)Molar Refractivity: 54.04 cm³; (13)Molar Volume: 151.7 cm³; (14)Polarizability: 21.42×10^-24 cm³; (15)Surface Tension: 62.5 dyne/cm; (16)Density: 1.384 g/cm³; (17)Flash Point: 187.9 °C; (18)Enthalpy of Vaporization: 67.1 kJ/mol; (19)Boiling Point: 387.1 °C at 760 mmHg; (20)Vapour Pressure: 1.1E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1ccc(N(C)C)c(C(=O)O)c1
(2) InChI: InChI=1/C9H10N2O4/c1-10(2)8-4-3-6(11(14)15)5-7(8)9(12)13/h3-5H,1-2H3,(H,12,13)
(3) InChIKey: DOWIJKGYCPKWNC-UHFFFAOYAN

Product Name

2-(DIMETHYLAMINO)-5-NITROBENZOIC ACID

2-(Dimethylamino)-5-nitrobenzoic acid Specification

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