Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Hydroxyquinoline-4-carboxylic acid |
EINECS | 204-236-7 |
CAS No. | 118-13-8 | Density | 1.48 g/cm3 |
PSA | 70.42000 | LogP | 1.63860 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H7NO3 | Boiling Point | 384.7 °C at 760 mmHg |
Molecular Weight | 189.17 | Flash Point | 186.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | 22 | |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
Cinchoninicacid, 3-hydroxy- (6CI,8CI);3-Hydroxy-4-quinolinecarboxylic acid;3-Hydroxycinchoninic acid; |
Article Data | 5 |
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 |