3-Nitro-1-naphthoic acid supplier

Name
3-NITRO-1-NAPHTHOIC ACID
EINECS
CAS No. 4507-84-0
Article Data20
CAS DataBase
Density 1.468 g/cm³
Solubility
Melting Point 270.5-271.5 °C
Formula C₁₁H₇NO₄
Boiling Point 445.2 °C at 760 mmHg
Molecular Weight 217.181
Flash Point 197.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Naphthoicacid, 3-nitro- (6CI,7CI,8CI);3-Nitro-1-naphthalenecarboxylic acid;3-Nitro-1-naphthoic acid;NSC 26051;
PSA 83.12000
LogP 2.96940

3-Nitro-1-naphthoic acid Specification

The cas register number of 3-Nitro-1-naphthoic acid is 4507-84-0. It also can be called as 1-Naphthalenecarboxylicacid, 3-nitro- and the IUPAC Name about this chemical is 3-nitronaphthalene-1-carboxylic acid.

Physical properties about 3-Nitro-1-naphthoic acid are: (1)ACD/LogP: 3.05; (2)ACD/LogD (pH 5.5): 0.51; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 3.12; (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: 72.12Å²; (11)Index of Refraction: 1.706; (12)Molar Refractivity: 57.57 cm³; (13)Molar Volume: 147.9 cm³; (14)Polarizability: 22.82x10^-24cm³; (15)Surface Tension: 70.5 dyne/cm; (16)Enthalpy of Vaporization: 74.11 kJ/mol; (17)Boiling Point: 445.2 °C at 760 mmHg; (18)Vapour Pressure: 1.04E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2cc(c1c(cccc1)c2)C(=O)O
(2)InChI: InChI=1/C11H7NO4/c13-11(14)10-6-8(12(15)16)5-7-3-1-2-4-9(7)10/h1-6H,(H,13,14)
(3)InChIKey: JTNZIGOFCKHWDV-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C11H7NO4/c13-11(14)10-6-8(12(15)16)5-7-3-1-2-4-9(7)10/h1-6H,(H,13,14)
(5)Std. InChIKey: JTNZIGOFCKHWDV-UHFFFAOYSA-N

Product Name

3-NITRO-1-NAPHTHOIC ACID

3-Nitro-1-naphthoic acid Specification

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