4-Bromo-2,3-dihydro-1H-indole supplier

Name
4-Bromo-2,3-dihydro-1H-indole
EINECS
CAS No. 86626-38-2
Article Data19
CAS DataBase
Density 1.515 g/cm³
Solubility
Melting Point
Formula C₈H₈BrN
Boiling Point 278.845 °C at 760 mmHg
Molecular Weight 198.062
Flash Point 122.442 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-BROMO-2,3-DIHYDRO-1H-INDOLE HYDROCHLORIDE;4-bromoindoline hydrochloride;
PSA 12.03000
LogP 2.55510

4-Bromo-2,3-dihydro-1H-indole Specification

The 4-Bromo-2,3-dihydro-1H-indole, with CAS registry number 86626-38-2, has the systematic name of 4-bromo-2,3-dihydro-1H-indole. Besides this, it is also called 4-bromoindoline hydrochloride. And the chemical formula of this chemical is C₈H₈BrN.

Physical properties of 4-Bromo-2,3-dihydro-1H-indole: (1)ACD/LogP: 2.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 80; (6)ACD/BCF (pH 7.4): 84; (7)ACD/KOC (pH 5.5): 788; (8)ACD/KOC (pH 7.4): 827; (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: 1.602; (14)Molar Refractivity: 44.854 cm³; (15)Molar Volume: 130.742 cm³; (16)Polarizability: 17.781×10^-24cm³; (17)Surface Tension: 44.02 dyne/cm; (18)Density: 1.515 g/cm³; (19)Flash Point: 122.442 °C; (20)Enthalpy of Vaporization: 51.749 kJ/mol; (21)Boiling Point: 278.845 °C at 760 mmHg; (22)Vapour Pressure: 0.004 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2cccc1NCCc12
(2)InChI: InChI=1/C8H8BrN/c9-7-2-1-3-8-6(7)4-5-10-8/h1-3,10H,4-5H2
(3)InChIKey: YCJCSDSXVHEBRU-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C8H8BrN/c9-7-2-1-3-8-6(7)4-5-10-8/h1-3,10H,4-5H2
(5)Std. InChIKey: YCJCSDSXVHEBRU-UHFFFAOYSA-N

Product Name

4-Bromo-2,3-dihydro-1H-indole

4-Bromo-2,3-dihydro-1H-indole Specification

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