1H-Isoindole, 4-bromo-2,3-dihydro-2-(phenylmethyl)- supplier

Name
2-Benzyl-4-bromoisoindoline
EINECS
CAS No. 923590-78-7
Article Data9
CAS DataBase
Density 1.412 g/cm³
Solubility
Melting Point
Formula C₁₅H₁₄BrN
Boiling Point 354 °C at 760 mmHg
Molecular Weight 288.187
Flash Point 167.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-benzyl-4-bromo-isoindoline;
PSA 3.24000
LogP 3.90280

1H-Isoindole, 4-bromo-2,3-dihydro-2-(phenylmethyl)- Specification

The 1H-Isoindole, 4-bromo-2,3-dihydro-2-(phenylmethyl)-, with the CAS registry number 923590-78-7, has the systematic name of 2-benzyl-4-bromo-isoindoline. And the molecular formula of this chemical is C₁₅H₁₄BrN. It is a kind of organics, and should be stored in the dry and cool environment.

The physical properties of 1H-Isoindole, 4-bromo-2,3-dihydro-2-(phenylmethyl)- are as following: (1)ACD/LogP: 3.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.76; (4)ACD/LogD (pH 7.4): 3.61; (5)ACD/BCF (pH 5.5): 45.43; (6)ACD/BCF (pH 7.4): 318.22; (7)ACD/KOC (pH 5.5): 300.45; (8)ACD/KOC (pH 7.4): 2104.6; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: Å²; (13)Index of Refraction: 1.647; (14)Molar Refractivity: 74.23 cm³; (15)Molar Volume: 204 cm³; (16)Polarizability: 29.43×10^-24cm³; (17)Surface Tension: 50.4 dyne/cm; (18)Density: 1.412 g/cm³; (19)Flash Point: 167.9 °C; (20)Enthalpy of Vaporization: 59.9 kJ/mol; (21)Boiling Point: 354 °C at 760 mmHg; (22)Vapour Pressure: 3.45E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)CN2Cc3cccc(c3C2)Br
(2)InChI: InChI=1/C15H14BrN/c16-15-8-4-7-13-10-17(11-14(13)15)9-12-5-2-1-3-6-12/h1-8H,9-11H2
(3)InChIKey: PXCBVDGJELFHKH-UHFFFAOYAN

Product Name

2-Benzyl-4-bromoisoindoline

1H-Isoindole, 4-bromo-2,3-dihydro-2-(phenylmethyl)- Specification

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