6-Bromo-5,7-difluoroquinoline supplier

Name
5,7-Difluoro-6-bromoquinoline
EINECS 682-933-9
CAS No. 1022091-49-1
Article Data5
CAS DataBase
Density 1.726 g/cm³
Solubility
Melting Point 87-92℃
Formula C₉H₄BrF₂N
Boiling Point 288.182 °C at 760 mmHg
Molecular Weight 244.038
Flash Point 128.088 °C
Transport Information
Appearance
Safety 26-39
Risk Codes 22-41
Molecular Structure
Hazard Symbols Xn
Synonyms 6-Bromo-5,7-difluoroquinoline;Quinoline, 6-bromo-5,7-difluoro-;
PSA 12.89000
LogP 3.27550

6-Bromo-5,7-difluoroquinoline Specification

The systematic name of 5,7-Difluoro-6-bromoquinoline is 6-bromo-5,7-difluoro-quinoline. With the CAS registry number 1022091-49-1, it is also named as Quinoline, 6-bromo-5,7-difluoro-. In addition, its molecular formula is C₉H₄BrF₂N and its molecular weight is 244.0356.

The other characteristics of 5,7-Difluoro-6-bromoquinoline can be summarized as: (1)ACD/LogP: 1.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.216; (4)ACD/LogD (pH 7.4): 1.216; (5)ACD/BCF (pH 5.5): 4.942; (6)ACD/BCF (pH 7.4): 4.944; (7)ACD/KOC (pH 5.5): 109.217; (8)ACD/KOC (pH 7.4): 109.255; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å²; (13)Index of Refraction: 1.623; (14)Molar Refractivity: 49.864 cm³; (15)Molar Volume: 141.377 cm³; (16)Polarizability: 19.768×10^-24cm³; (17)Surface Tension: 46.912 dyne/cm; (18)Density: 1.726 g/cm³; (19)Flash Point: 128.088 °C; (20)Enthalpy of Vaporization: 50.625 kJ/mol; (21)Boiling Point: 288.182 °C at 760 mmHg; (22)Vapour Pressure: 0.004 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: c1cc2c(cc(c(c2F)Br)F)nc1
(2)InChI: InChI=1/C9H4BrF2N/c10-8-6(11)4-7-5(9(8)12)2-1-3-13-7/h1-4H
(3)InChIKey: DUAWZZRBLJDTQC-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C9H4BrF2N/c10-8-6(11)4-7-5(9(8)12)2-1-3-13-7/h1-4H
(5)Std. InChIKey: DUAWZZRBLJDTQC-UHFFFAOYSA-N

Product Name

5,7-Difluoro-6-bromoquinoline

6-Bromo-5,7-difluoroquinoline Specification

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