3-Quinolinecarboxylicacid, 4-hydroxy-6-nitro- supplier

Name
6-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
EINECS
CAS No. 35973-24-1
Density 1.624 g/cm³
Solubility
Melting Point
Formula C₁₀H₆N₂O₅
Boiling Point 452.9 °C at 760 mmHg
Molecular Weight 234.168
Flash Point 227.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Hydroxy-6-nitroquinoline-3-carboxylicacid;NSC 77094;NSC 79184;
PSA
LogP

3-Quinolinecarboxylicacid, 4-hydroxy-6-nitro- Specification

The 3-Quinolinecarboxylicacid, 4-hydroxy-6-nitro-, with the CAS registry number 35973-24-1, is also known as 4-Hydroxy-6-nitroquinoline-3-carboxylicacid. This chemical's molecular formula is C₁₀H₆N₂O₅ and molecular weight is 234.165. What's more, its IUPAC name is 6-Nitro-4-oxo-1H-quinoline-3-carboxylic acid.

Physical properties about 3-Quinolinecarboxylicacid, 4-hydroxy-6-nitro-: (1)ACD/LogP: 2.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.6; (4)ACD/LogD (pH 7.4): 1.26; (5)ACD/BCF (pH 5.5): 51.7; (6)ACD/BCF (pH 7.4): 2.36; (7)ACD/KOC (pH 5.5): 536.51; (8)ACD/KOC (pH 7.4): 24.48; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 92.43 Å²; (13)Index of Refraction: 1.674; (14)Molar Refractivity: 54.15 cm³; (15)Molar Volume: 144.1 cm³; (16)Surface Tension: 78.5 dyne/cm; (17)Density: 1.624 g/cm³; (18)Flash Point: 227.7 °C; (19)Enthalpy of Vaporization: 75.05 kJ/mol; (20)Boiling Point: 452.9 °C at 760 mmHg; (21)Vapour Pressure: 5.43E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c2ccc1c(C(=O)\C(=C/N1)C(=O)O)c2
(2) InChI: InChI=1S/C10H6N2O5/c13-9-6-3-5(12(16)17)1-2-8(6)11-4-7(9)10(14)15/h1-4H,(H,11,13)(H,14,15)
(3) InChIKey: HVEINHUJRQCZNZ-UHFFFAOYAQ

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	180mg/kg (180mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01355,

Product Name

6-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

3-Quinolinecarboxylicacid, 4-hydroxy-6-nitro- Specification

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