CAS No.127168-84-7,5-BROMOISOINDOLINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	127168-84-7
Name:	5-BROMOISOINDOLINE
Article Data:	36

Formula:	C₈H₈BrN
Molecular Weight:	198.062
Synonyms:	5-Bromoisoindoline;1H-isoindole, 5-bromo-2,3-dihydro-;
Density:	1.515 g/cm³
Boiling Point:	253.389 °C at 760 mmHg
Flash Point:	107.046 °C
PSA:	12.03000
LogP:	2.38110

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Specification

The 5-Bromo-2,3-dihydro-1H-isoindole, with the CAS registry number 127168-84-7, is also called 1H-isoindole, 5-bromo-2,3-dihydro-. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₈H₈BrN.

The characteristics of 5-Bromo-2,3-dihydro-1H-isoindole are as followings: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 13; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 0; (11)Polar Surface Area: 12.03 Å²; (12)Index of Refraction: 1.602; (13)Molar Refractivity: 44.854 cm³; (14)Molar Volume: 130.742 cm³; (15)Polarizability: 17.781×10^-24cm³; (16)Surface Tension: 44.02 dyne/cm; (17)Density: 1.515 g/cm³; (18)Flash Point: 107.046 °C; (19)Enthalpy of Vaporization: 49.078 kJ/mol; (20)Boiling Point: 253.389 °C at 760 mmHg; (21)Vapour Pressure: 0.018 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1ccc2CNCc2c1
(2)InChI: InChI=1/C8H8BrN/c9-8-2-1-6-4-10-5-7(6)3-8/h1-3,10H,4-5H2
(3)InChIKey: KJCXRORGYAHAAH-UHFFFAOYAR