1H-Indole,5-bromo-1-(phenylmethyl)- supplier

Name
1-BENZYL-5-BROMO-1H-INDOLE
EINECS
CAS No. 10075-51-1
Article Data35
CAS DataBase
Density 1.35 g/cm³
Solubility
Melting Point 93-95 °C
Formula C₁₅H₁₂BrN
Boiling Point 425.3 °C at 760 mmHg
Molecular Weight 286.171
Flash Point 211 °C
Transport Information
Appearance
Safety 26-39
Risk Codes 41
Molecular Structure
Hazard Symbols
Synonyms Indole,1-benzyl-5-bromo- (7CI,8CI);1-Benzyl-5-bromo-1H-indole;1-Benzyl-5-bromoindole;N-Benzyl-5-bromoindole;NSC 143237;
PSA 4.93000
LogP 4.45210

1H-Indole,5-bromo-1-(phenylmethyl)- Specification

The 1H-Indole,5-bromo-1-(phenylmethyl)-, with the CAS registry number 10075-51-1, is also known as 1-Benzyl-5-bromo-1H-indole. This chemical's molecular formula is C₁₅H₁₂BrN and molecular weight is 286.16648. Its IUPAC name is called 1-benzyl-5-bromoindole.

Physical properties of 1H-Indole,5-bromo-1-(phenylmethyl)-: (1)ACD/LogP: 5.02; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.02; (4)ACD/LogD (pH 7.4): 5.02; (5)ACD/BCF (pH 5.5): 3835.66; (6)ACD/BCF (pH 7.4): 3835.66; (7)ACD/KOC (pH 5.5): 12791.07; (8)ACD/KOC (pH 7.4): 12791.07; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.631; (12)Molar Refractivity: 75.53 cm³; (13)Molar Volume: 211.8 cm³; (14)Surface Tension: 44.3 dyne/cm; (15)Density: 1.35 g/cm³; (16)Flash Point: 211 °C; (17)Enthalpy of Vaporization: 65.36 kJ/mol; (18)Boiling Point: 425.3 °C at 760 mmHg; (19)Vapour Pressure: 4.79E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)CN2C=CC3=C2C=CC(=C3)Br
(2)InChI: InChI=1S/C15H12BrN/c16-14-6-7-15-13(10-14)8-9-17(15)11-12-4-2-1-3-5-12/h1-10H,11H2
(3)InChIKey: AQXJFUYUNHLBGU-UHFFFAOYSA-N

Product Name

1-BENZYL-5-BROMO-1H-INDOLE

1H-Indole,5-bromo-1-(phenylmethyl)- Specification

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