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6-Methylindole

6-Methylindole structure

CAS No:
3420-02-8
Formula:
C9H9N
Chemical Name:
6-Methylindole
Synonyms:
6-Methyindole;6-Metlylindole;AKOSJY2082811;6-METHYLINDOLE;Indole,6-methyl-;6-METHYL-1H-INDOLE;6-Methylindole,98%;6-Methylindole,99%;6-METHYLINDOLE99%;1H-Indole,6-methyl-
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Description

clear yellow to light brown liquid after melting

6-Methylindole Basic Attributes

Molecular Weight：

131.174

Exact Mass：

131.073502

UNII：

QTM6OJZ56S

DSSTox ID：

DTXSID00187789

HScode：

2933990090

Characteristics

PSA：

15.79000

XLogP3：

3.3

Appearance：

clear yellow to light brown liquid after melting

Density：

1.1±0.1 g/cm3

Melting Point：

29-32°C

Boiling Point：

260.3±9.0 °C at 760 mmHg

Flash Point：

109.6±11.3 °C

Refractive Index：

1.655

Water Solubility：

Insoluble in water.

Storage Conditions：

0-6ºC

Safety Information

Transport codes：

UN 3334 9

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36

Marks：

Xi:Irritant;

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 42 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

6-Methylindole Use and Manufacturing

Reactant for preparation of tryptophan dioxygenase inhibitors pyridyl-ethenyl-indoles as potential anticancer immunomodulators 1 Reactant for preparation of indole linked triazole derivatives as antifungal agents 2 Reactant for preparation of N-β-D-xylosyl-indole derivatives as SGLT2 inhibitors for management of hyperglycemia in diabetes 3 Reactant for preparation of aminoguanidine derivatives of arylsulfonylacylindoles as antifungal agents 4 Reactant for preparation of indolylindazoles and indolylpyrazolopyridines as interleukin-2 inducible T cell kinase inhibitors 5 Reactant for preparation of arylsulfonylacetylindoles as anti-HIV-1 agents.

Computed Properties

Molecular Weight:131.17
XLogP3:3.3
Hydrogen Bond Donor Count:1
Exact Mass:131.073499291
Monoisotopic Mass:131.073499291
Topological Polar Surface Area:15.8
Heavy Atom Count:10
Complexity:122
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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