1H-Indole,4-bromo-1-methyl- supplier

Name
4-BROMO-1-METHYL-1H-INDOLE
EINECS
CAS No. 590417-55-3
Article Data31
CAS DataBase
Density 1.472 g/cm³
Solubility
Melting Point
Formula C₉H₈BrN
Boiling Point 300.878 °C at 760 mmHg
Molecular Weight 210.073
Flash Point 135.766 °C
Transport Information
Appearance
Safety 26
Risk Codes 22-41
Molecular Structure
Hazard Symbols Xi
Synonyms 4-Bromo-1-methyl-1H-indole;
PSA 4.93000
LogP 2.94080

1H-Indole,4-bromo-1-methyl- Specification

The 1H-Indole, 4-bromo-1-methyl-, with the CAS registry number of 590417-55-3, is also known as 4-Bromo-1-methyl-1H-indole 97%. This chemical's molecular formula is C₉H₈BrN and molecular weight is 210.07. What's more, its systematic name is 4-bromo-1-methyl-1H-indole. Besides, it can be stored at room temperature.

Physical properties about 1H-Indole, 4-bromo-1-methyl- are: (1)ACD/LogP: 3.24; (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): 194; (6)ACD/BCF (pH 7.4): 194; (7)ACD/KOC (pH 5.5): 1509; (8)ACD/KOC (pH 7.4): 1509; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 4.93 Å²; (13)Index of Refraction: 1.622; (14)Molar Refractivity: 50.248 cm³; (15)Molar Volume: 142.754 cm³; (16)Surface Tension: 41.527 dyne/cm; (17)Density: 1.472 g/cm³; (18)Flash Point: 135.766 °C; (19)Enthalpy of Vaporization: 51.935 kJ/mol; (20)Boiling Point: 300.878 °C at 760 mmHg; (21)Vapour Pressure: 0.002 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc2cccc1c2ccn1C
(2) InChI: InChI=1/C9H8BrN/c1-11-6-5-7-8(10)3-2-4-9(7)11/h2-6H,1H3
(3) InChIKey: JZOSXTYDJPHXQD-UHFFFAOYAD

Product Name

4-BROMO-1-METHYL-1H-INDOLE

1H-Indole,4-bromo-1-methyl- Specification

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