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

Name
6-BROMO-2-PHENYL-QUINOLINE-4-CARBOXYLIC ACID
EINECS
CAS No. 33007-99-7
Article Data2
CAS DataBase
Density 1.556 g/cm³
Solubility
Melting Point
Formula C₁₆H₁₀BrNO₂
Boiling Point 502.3 °C at 760 mmHg
Molecular Weight 328.16
Flash Point 257.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Cinchoninicacid, 6-bromo-2-phenyl- (8CI);6-Bromo-2-phenylquinoline-4-carboxylic acid;6-Bromo-4-carboxy-2-phenylquinoline;
PSA 50.19000
LogP 4.36250

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,

Product Name

6-BROMO-2-PHENYL-QUINOLINE-4-CARBOXYLIC ACID

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

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