5-Bromo-1,2,3,4-tetrahydroquinoline supplier

Name
5-BROMO-1,2,3,4-TETRAHYDRO-QUINOLINE HYDROCHLORIDE
EINECS
CAS No. 114744-50-2
Article Data15
CAS DataBase
Density 1.428 g/cm³
Solubility
Melting Point
Formula C₉H₁₀BrN
Boiling Point 299.676 °C at 760 mmHg
Molecular Weight 212.089
Flash Point 135.039 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-bromo-tetrahydroquinoline
PSA 12.03000
LogP 3.74720

5-Bromo-1,2,3,4-tetrahydroquinoline Specification

The CAS registry number of Quinoline, 5-bromo-1,2,3,4-tetrahydro- is 114744-50-2. This chemical's molecular formula is C₉H₁₀BrN and molecular weight is 212.09. What's more, both its IUPAC name and systematic name are the same which is called 5-Bromo-1,2,3,4-tetrahydroquinoline.

Physical properties about Quinoline, 5-bromo-1,2,3,4-tetrahydro- are: (1)ACD/LogP: 3.497; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.48; (4)ACD/LogD (pH 7.4): 3.50; (5)ACD/BCF (pH 5.5): 255.28; (6)ACD/BCF (pH 7.4): 267.45; (7)ACD/KOC (pH 5.5): 1814.36; (8)ACD/KOC (pH 7.4): 1900.85; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.03 Å²; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 49.465 cm³; (15)Molar Volume: 148.481 cm³; (16)Polarizability: 19.61×10^-24 cm³; (17)Surface Tension: 41.47 dyne/cm; (18)Density: 1.428 g/cm³; (19)Flash Point: 135.039 °C; (20)Enthalpy of Vaporization: 53.969 kJ/mol; (21)Boiling Point: 299.676 °C at 760 mmHg; (22)Vapour Pressure: 0.0010 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cccc2NCCCc12
(2) InChI: InChI=1S/C9H10BrN/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1,4-5,11H,2-3,6H2
(3) InChIKey: WTZQIKXLRRDMCP-UHFFFAOYSA-N

Product Name

5-BROMO-1,2,3,4-TETRAHYDRO-QUINOLINE HYDROCHLORIDE

5-Bromo-1,2,3,4-tetrahydroquinoline Specification

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