Products Categories
CAS No.: | 33007-99-7 |
---|---|
Name: | 6-BROMO-2-PHENYL-QUINOLINE-4-CARBOXYLIC ACID |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C16H10BrNO2 |
Molecular Weight: | 328.16 |
Synonyms: | Cinchoninicacid, 6-bromo-2-phenyl- (8CI);6-Bromo-2-phenylquinoline-4-carboxylic acid;6-Bromo-4-carboxy-2-phenylquinoline; |
Density: | 1.556 g/cm3 |
Boiling Point: | 502.3 °C at 760 mmHg |
Flash Point: | 257.6 °C |
Hazard Symbols: | Xi |
PSA: | 50.19000 |
LogP: | 4.36250 |
What can I do for you?
Get Best Price
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, |