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1-Methylindole

1-Methylindole structure

CAS No:
603-76-9
Formula:
C9H9N
Chemical Name:
1-Methylindole
Synonyms:
1H-Indole,1-methyl-;Indole,1-methyl-;1-Methyl-1H-indole;1-Methylindole;N-Methylindole;NSC 212534
Categories:
Organic Chemistry > Carboxylic Acids and Derivatives

Description

deep yellow viscous liquid with a very unpleasant smell

1-Methylindole is an irritating, potentially toxic organic compound which occurs as a deep yellow viscous liquid with a very strong unpleasant odor. It has the chemical formula C9H9N.

1-Methylindole Basic Attributes

Molecular Weight：

131.178

Exact Mass：

131.17

EC Number：

210-057-5

UNII：

8H698ROJ5F

NSC Number：

212534

DSSTox ID：

DTXSID3060534

HScode：

29339990

Characteristics

PSA：

4.9

XLogP3：

2.7

Appearance：

Light yellow clear liquid

Density：

1.0±0.1 g/cm3

Melting Point：

186-187 °C

Boiling Point：

237 °C

Flash Point：

98.6±18.7 °C

Refractive Index：

1.570

Water Solubility：

H2O: insoluble

Storage Conditions：

Refrigerator (+4ºC)

Safety Information

Transport codes：

UN 3334

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S22-S24/25-S37/39-S26

Marks：

Xi:Irritant

Stability/Shelf Life：

Light sensitive. Combustible. Incompatible with strong oxidizing agents.

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H315 (90%): 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 10 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1-methylindole

1-Methylindole Use and Manufacturing

Manufacturing Info：

1H-Indole, 1-methyl-: INACTIVE

Analysis Methods

Name	Column Shape	Active Phase(℃)	Retention index	Temperature Control	Method	Comments	Reference
Kovats' RI, non-polar column, isothermal	Capillary	OV-1	1269.	150.	isothermal	25. m/0.2 mm/0.33 μm, N2	Zhang, M.Chen, B.Shen, S.Chen, S.Compositional studies of high-temperature coal tar by g.c.-FT-i.r. analysis of middle oil fractionsFuel1997, 76, 5, 415-423.
Kovats' RI, non-polar column, isothermal	Capillary	OV-1	1269.	150.	isothermal	25. m/0.2 mm/0.33 μm, N2	Zhang, M.Chen, B.Shen, S.Chen, S.Compositional studies of high-temperature coal tar by g.c.-FT-i.r. analysis of middle oil fractionsFuel1997, 76, 5, 415-423.
Kovats' RI, non-polar column, isothermal	Capillary	OV-1	1270.	150.	isothermal	25. m/0.2 mm/0.33 μm, N2	Zhang, M.Chen, B.Shen, S.Chen, S.Compositional studies of high-temperature coal tar by g.c.-FT-i.r. analysis of middle oil fractionsFuel1997, 76, 5, 415-423.
Kovats' RI, non-polar column, isothermal	Capillary	OV-1	1277.	160.	isothermal	25. m/0.2 mm/0.33 μm, N2	Zhang, M.Chen, B.Shen, S.Chen, S.Compositional studies of high-temperature coal tar by g.c.-FT-i.r. analysis of middle oil fractionsFuel1997, 76, 5, 415-423.
Kovats' RI, non-polar column, isothermal	Packed	SE-30	1285.	170.	isothermal	N2, Chromosorb W-AW; Column length: 2. m	Tibor, T.Anna, B.Gázkromatográfiás retenció és a kémiai szerkezet, I.Magy. Kem. Foly.1971, 77, 576-587.

Computed Properties

Molecular Weight:131.17
XLogP3:2.7
Exact Mass:131.073499291
Monoisotopic Mass:131.073499291
Topological Polar Surface Area:4.9
Heavy Atom Count:10
Complexity:122
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

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