CAS No.3389-21-7,3-(2-BROMOETHYL)INDOLE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	3389-21-7
Name:	3-(2-BROMOETHYL)INDOLE
Article Data:	19

Formula:	C₁₀H₁₀BrN
Molecular Weight:	224.1
Synonyms:	3-(2-Bromoethyl)-1H-indole;3-(2-Bromo-ethyl)-1H-indole;
EINECS:	222-219-2
Density:	1.515 g/cm³
Melting Point:	97- 99 °C
Boiling Point:	343.5 °C at 760 mmHg
Flash Point:	161.5 °C
Appearance:	Yellow Solid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-37/39
PSA:	15.79000
LogP:	3.10530

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Specification

The 1H-Indole, 3-(2-bromoethyl)-, with the CAS registry number 3389-21-7, is also known as 3-(2-Bromo-ethyl)-1H-indole. It belongs to the product categories of Indole Derivatives; Halogenated Heterocycles; Heterocyclic Building Blocks; Indoles; IndolesBuilding Blocks. Its EINECS number is 222-219-2. This chemical's molecular formula is C₁₀H₁₀BrN and molecular weight is 224.1. What's more, its systematic name is 3-(2-bromoethyl)-1H-indole. It should be sealed and stored in a cool and dry place.

Physical properties of 1H-Indole, 3-(2-bromoethyl)- are: (1)ACD/LogP: 3.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.01; (4)ACD/BCF (pH 5.5): 114.82; (5)ACD/KOC (pH 5.5): 1037.94; (6)#H bond acceptors: 1; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 4.93 Å²; (10)Index of Refraction: 1.678; (11)Molar Refractivity: 55.8 cm³; (12)Molar Volume: 147.8 cm³; (13)Surface Tension: 53.2 dyne/cm; (14)Density: 1.515 g/cm³; (15)Flash Point: 161.5 °C; (16)Enthalpy of Vaporization: 56.41 kJ/mol; (17)Boiling Point: 343.5 °C at 760 mmHg; (18)Vapour Pressure: 0.000139 mmHg at 25°C.

Uses of 1H-Indole, 3-(2-bromoethyl)-: it can be used to produce 4-Methyl-1-(2-indol-3-yl-ethyl)-pyridinium-bromid at the temperature of 80 °C. The reaction time is 1 hour. The yield is about 75%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCCc2c1ccccc1nc2
(2)InChI: InChI=1S/C10H10BrN/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2
(3)InChIKey: NTLAICDKHHQUGC-UHFFFAOYSA-N