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2-Methylindole

2-Methylindole structure

CAS No:
95-20-5
Formula:
C9H9N
Chemical Name:
2-Methylindole
Synonyms:
1H-Indole,2-methyl-;Indole,2-methyl-;2-Methyl-1H-indole;2-Methylindole;NSC 7514
Categories:
Pharmaceutical Intermediates > Antineoplastics

Description

yellow to reddish-purple or brown crystals, flakes

2-methyl-1H-indole is a methylindole that is 1H-indole substituted by a methyl group at position 2. It derives from a hydride of a 1H-indole.

2-Methylindole Basic Attributes

Molecular Weight：

131.17400

Exact Mass：

131.17

EC Number：

202-398-3

UNII：

I7CN58827I

NSC Number：

7514

DSSTox ID：

DTXSID5059117

HScode：

2933990090

Characteristics

PSA：

15.79000

XLogP3：

2.5

Appearance：

yellow to reddish-purple or brown crystals, flakes

Density：

1.07

Melting Point：

61 °C

Boiling Point：

272 °C

Flash Point：

141ºC

Refractive Index：

1.654

Water Solubility：

Insoluble in water.

Storage Conditions：

Freezer (-20ºC)

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R20/21/22

safety instructions：

S24/25

RTECS Number：

NM0345000

Marks：

Stability/Shelf Life：

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

Precautionary statement(s)：

P280-P305 + P351 + P338

Hazard Statements：

H318

GHS Classification：

|Danger|H318 (92.81%): Causes serious eye damage [Danger Serious eye damage/eye irritation]|P280, P305+P351+P338, and P310|Aggregated GHS information provided by 139 companies from 6 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

2-methylindole

2-Methylindole Use and Manufacturing

Uses

It is used in organic synthesis and can be used as a deodorant in the fragrance industry.

Manufacturing Info：

1H-Indole, 2-methyl-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:131.17
XLogP3:2.5
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

Material

Hydrazine, phenyl-

Ethylene glycol

Diethylene glycol

Ethyl acetate

Propylene Glycol

Formic acid

Acetone

Propylene Oxide

Hydrochloric acid

Sulfuric acid

o-Toluidine

Downstream Products

Hydroquinone

o-Toluidine

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