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4-Quinolinecarboxylicacid, 6-bromo-2-phenyl-

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Name

4-Quinolinecarboxylicacid, 6-bromo-2-phenyl-

EINECS N/A
CAS No. 33007-99-7 Density 1.556 g/cm3
PSA 50.19000 LogP 4.36250
Solubility N/A Melting Point N/A
Formula C16H10BrNO2 Boiling Point 502.3 °C at 760 mmHg
Molecular Weight 328.16 Flash Point 257.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 33007-99-7 (6-BROMO-2-PHENYL-QUINOLINE-4-CARBOXYLIC ACID) Hazard Symbols IrritantXi
Synonyms

Cinchoninicacid, 6-bromo-2-phenyl- (8CI);6-Bromo-2-phenylquinoline-4-carboxylic acid;6-Bromo-4-carboxy-2-phenylquinoline;

Article Data 2

4-Quinolinecarboxylicacid, 6-bromo-2-phenyl- Specification

The CAS register number of 4-Quinolinecarboxylicacid, 6-bromo-2-phenyl- is 33007-99-7. It also can be called as 6-Bromo-4-carboxy-2-phenylquinoline and the IUPAC name about this chemical is 6-bromo-2-phenylquinoline-4-carboxylic acid. The molecular formula about this chemical is C16H10BrNO2 and the molecular weight is 328.16. This chemical is irritant and it may cause inflammation to the skin or other mucous membranes.

Physical properties about 4-Quinolinecarboxylicacid, 6-bromo-2-phenyl- are: (1)ACD/LogP: 4.51; (2)ACD/LogD (pH 5.5): 1.92; (3)ACD/LogD (pH 7.4): 1.59; (4)ACD/BCF (pH 5.5): 3.61; (5)ACD/BCF (pH 7.4): 1.69; (6)ACD/KOC (pH 5.5): 13.84; (7)ACD/KOC (pH 7.4): 6.47; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 39.19 Å2; (12)Index of Refraction: 1.699; (13)Molar Refractivity: 81.39 cm3; (14)Molar Volume: 210.7 cm3; (15)Polarizability: 32.26x10-24cm3; (16)Surface Tension: 61.9 dyne/cm; (17)Density: 1.556 g/cm3; (18)Flash Point: 257.6 °C; (19)Enthalpy of Vaporization: 81.22 kJ/mol; (20)Boiling Point: 502.3 °C at 760 mmHg; (21)Vapour Pressure: 6.56E-11 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc2nc(cc(c2c1)C(=O)O)c3ccccc3
(2)InChI: InChI=1/C16H10BrNO2/c17-11-6-7-14-12(8-11)13(16(19)20)9-15(18-14)10-4-2-1-3-5-10/h1-9H,(H,19,20)
(3)InChIKey: PPBAFFAAGXPVNW-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C16H10BrNO2/c17-11-6-7-14-12(8-11)13(16(19)20)9-15(18-14)10-4-2-1-3-5-10/h1-9H,(H,19,20)
(5)Std. InChIKey: PPBAFFAAGXPVNW-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 890mg/kg (890mg/kg)   United States Patent Document. Vol. #3574840,

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