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2047-89-4

Basic Information
CAS No.: 2047-89-4
Name: INDOLO(2,3-B)CYCLOHEPTENE
Molecular Structure:
Molecular Structure of 2047-89-4 (INDOLO(2,3-B)CYCLOHEPTENE)
Formula: C13H15N
Molecular Weight: 185.26
Synonyms: 1H-Indole,2,3-(1,5-pentanediyl)-;2,3-Pentamethyleneindole;5,6,7,8,9,10-Hexahydrocyclohept[b]indole;NSC 73038;Indolo[1,2-b]cycloheptene;Cycloheptan[a]indole;
Density: 1.113 g/cm3
Melting Point: 140-142 °C
Boiling Point: 340.4 °C at 760 mmHg
Flash Point: 148.3 °C
Appearance: Crystalline powder
Hazard Symbols: Xi
Risk Codes: 36
Safety: 26
PSA: 15.79000
LogP: 3.43680
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Specification

The Cyclohept[b]indole,5,6,7,8,9,10-hexahydro- with CAS registry number of 2047-89-4 is also known as 1H-Indole,2,3-(1,5-pentanediyl)-. The systematic name is 5,6,7,8,9,10-Hexahydrocyclohepta[b]indole. In addition, the formula is C13H15N and the molecular weight is 185.26. This chemical is a crystalline powder and should be sealed in cool, dry and ventilated place away from oxides.

Physical properties about Cyclohept[b]indole,5,6,7,8,9,10-hexahydro- are: (1)ACD/LogP: 4.39; (2)#H bond acceptors: 1; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 0; (5)Polar Surface Area: 4.93Å2; (6)Index of Refraction: 1.639; (7)Molar Refractivity: 59.92 cm3; (8)Molar Volume: 166.4 cm3; (9)Polarizability: 23.75×10-24cm3; (10)Surface Tension: 47.5 dyne/cm; (11)Density: 1.113 g/cm3; (12)Flash Point: 148.3 °C; (13)Enthalpy of Vaporization: 56.08 kJ/mol; (14)Boiling Point: 340.4 °C at 760 mmHg; (15)Vapour Pressure: 0.00017 mmHg at 25 °C.

Preparation of Cyclohept[b]indole,5,6,7,8,9,10-hexahydro-: it is prepared by reaction of cycloheptanone phenylhydrazone. The reaction needs reagents 2N, H2SO4 and other condition of heating for 1 hour. The yield is about 88%.

Cyclohept[b]indole,5,6,7,8,9,10-hexahydro- is prepared by reaction of cycloheptanone phenylhydrazone.

Uses of Cyclohept[b]indole,5,6,7,8,9,10-hexahydro-: it is used to produce 5-methyl-5,6,7,8,9,10-hexahydro-cyclohepta[b]indole by reaction with sulfuric acid dimethyl ester. The reaction occurs with reagent sodium hydride and the yield is about 80%.

Cyclohept[b]indole,5,6,7,8,9,10-hexahydro- is used to produce 5-methyl-5,6,7,8,9,10-hexahydro-cyclohepta[b]indole by reaction with sulfuric acid dimethyl ester.

You can still convert the following datas into molecular structure:
1. SMILES: c12ccccc1c3c(n2)CCCCC3
2. InChI: InChI=1/C13H15N/c1-2-6-10-11-7-4-5-9-13(11)14-12(10)8-3-1/h4-5,7,9,14H,1-3,6,8H2
3. InChIKey: XZUJMYLNFZHNLP-UHFFFAOYAM
4. Std. InChI: InChI=1S/C13H15N/c1-2-6-10-11-7-4-5-9-13(11)14-12(10)8-3-1/h4-5,7,9,14H,1-3,6,8H2
5. Std. InChIKey: XZUJMYLNFZHNLP-UHFFFAOYSA-N