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Basic Information
CAS No.: 65340-75-2
Name: 4-AMINO-8-BROMOQUINOLINE
Molecular Structure:
Molecular Structure of 65340-75-2 (4-AMINO-8-BROMOQUINOLINE)
Formula: C9H7BrN2
Molecular Weight: 223.072
Synonyms: 4-Amino-8-bromoquinoline;
Density: 1.649 g/cm3
Melting Point: 187-188 °C(Solv: ethanol (64-17-5); water (7732-18-5))
Boiling Point: 388.7 °C at 760 mmHg
Flash Point: 188.9 °C
Risk Codes: 41
Safety: 26-39
PSA: 38.91000
LogP: 3.16070
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Specification

The CAS register number of 4-Amino-8-bromoquinoline is 65340-75-2. It also can be called as 4-quinolinamine, 8-bromo- and the systematic name about this chemical is 8-bromoquinolin-4-amine. Its molecular formula is C9H7BrN2 and molecular weight is 223.07.

Physical properties about 4-Amino-8-bromoquinoline are: (1)ACD/LogP: 2.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.5; (4)ACD/LogD (pH 7.4): 2.36; (5)#H bond acceptors: 2; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 38.91Å2; (9)Index of Refraction: 1.732; (10)Molar Refractivity: 54.11 cm3; (11)Molar Volume: 135.2 cm3; (12)Surface Tension: 63.3 dyne/cm; (13)Density: 1.649 g/cm3; (14)Flash Point: 188.9 °C; (15)Enthalpy of Vaporization: 63.79 kJ/mol; (16)Boiling Point: 388.7 °C at 760 mmHg; (17)Vapour Pressure: 3.01E-06 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: c1cc2c(ccnc2c(c1)Br)N
2.InChI: InChI=1/C9H7BrN2/c10-7-3-1-2-6-8(11)4-5-12-9(6)7/h1-5H,(H2,11,12)
3.InChIKey: IYDRVHGHAXAOGC-UHFFFAOYAP
4.Std. InChI: InChI=1S/C9H7BrN2/c10-7-3-1-2-6-8(11)4-5-12-9(6)7/h1-5H,(H2,11,12)