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5-Methylindole

5-Methylindole structure

CAS No:
614-96-0
Formula:
C9H9N
Chemical Name:
5-Methylindole
Synonyms:
1H-Indole,5-methyl-;Indole,5-methyl-;5-Methyl-1H-indole;5-Methylindole;5-Methylindol;NSC 522562
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

white to slightly beige crystalline solid

5-Methylindole Basic Attributes

Molecular Weight：

131.178

Exact Mass：

131.17

EC Number：

210-400-9

UNII：

KT52363RI5

NSC Number：

522562

DSSTox ID：

DTXSID6060638

HScode：

2933990090

Characteristics

PSA：

15.8

XLogP3：

2.7

Appearance：

Solid.

Density：

1.1±0.1 g/cm3

Melting Point：

60 °C

Boiling Point：

267 °C

Flash Point：

114.7±11.3 °C

Refractive Index：

1.655

Water Solubility：

Insoluble in water.

Storage Conditions：

Keep Cold

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36-S24/25

Marks：

Xi: Irritant;

Stability/Shelf Life：

Stable under normal shipping and handling conditions. Substance undergoes color change upon exposure to light and air.

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 46 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

5-methylindole

5-Methylindole Use and Manufacturing

5-Methylindole is used in the synthesis of novel protein kinase inhibitors.

Computed Properties

Molecular Weight:131.17
XLogP3:2.7
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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