3-Hydroxyquinoline-4-carboxylic acid supplier

Name
3-HYDROXYQUINOLINE-4-CARBOXYLIC ACID
EINECS 204-236-7
CAS No. 118-13-8
Article Data5
CAS DataBase
Density 1.48 g/cm³
Solubility
Melting Point
Formula C₁₀H₇NO₃
Boiling Point 384.7 °C at 760 mmHg
Molecular Weight 189.17
Flash Point 186.5 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms Cinchoninicacid, 3-hydroxy- (6CI,8CI);3-Hydroxy-4-quinolinecarboxylic acid;3-Hydroxycinchoninic acid;
PSA 70.42000
LogP 1.63860

3-Hydroxyquinoline-4-carboxylic acid Specification

This chemical is called 3-Hydroxyquinoline-4-carboxylic acid, and it can also be named as Cinchoninic acid, 3-hydroxy-. With the molecular formula of C₁₀H₇NO₃, its molecular weight is 189.17. The CAS registry number of this chemical is 118-13-8, and its product categories are Intermediates of Dyes and Pigments.

Other characteristics of the 3-Hydroxyquinoline-4-carboxylic acid can be summarised as followings: (1)ACD/LogP: 2.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.26; (4)ACD/LogD (pH 7.4): -0.5; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 48.42 Å²; (13)Index of Refraction: 1.73; (14)Molar Refractivity: 50.99 cm³; (15)Molar Volume: 127.7 cm³; (16)Polarizability: 20.21×10^-24cm³; (17)Surface Tension: 80.3 dyne/cm; (18)Density: 1.48 g/cm³; (19)Flash Point: 186.5 °C; (20)Enthalpy of Vaporization: 66.81 kJ/mol; (21)Boiling Point: 384.7 °C at 760 mmHg; (22)Vapour Pressure: 1.32E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c1c2ccccc2ncc1O
2.InChI: InChI=1/C10H7NO3/c12-8-5-11-7-4-2-1-3-6(7)9(8)10(13)14/h1-5,12H,(H,13,14)
3.InChIKey: MXNVEJDRXSFZQB-UHFFFAOYAL
4.Std. InChI: InChI=1S/C10H7NO3/c12-8-5-11-7-4-2-1-3-6(7)9(8)10(13)14/h1-5,12H,(H,13,14)
5.Std. InChIKey: MXNVEJDRXSFZQB-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	250mg/kg (250mg/kg)		National Technical Information Service. Vol. AD691-490,
mouse	LDLo	subcutaneous	1600mg/kg (1600mg/kg)		Bulletin of the Johns Hopkins Hospital. Vol. 88, Pg. 181, 1951. Link to PubMed

Product Name

3-HYDROXYQUINOLINE-4-CARBOXYLIC ACID

3-Hydroxyquinoline-4-carboxylic acid Specification

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