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4-Methylindole

4-Methylindole structure

CAS No:
16096-32-5
Formula:
C9H9N
Chemical Name:
4-Methylindole
Synonyms:
1H-Indole,4-methyl-;Indole,4-methyl-;4-Methyl-1H-indole;4-Methylindole
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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4-Methylindole Basic Attributes

Molecular Weight：

131.17400

Exact Mass：

131.17

EC Number：

240-262-5

UNII：

3338387XEA

DSSTox ID：

DTXSID20167043

HScode：

2933990090

Characteristics

PSA：

15.79000

XLogP3：

2.47630

Appearance：

yellow - brown Clear liquid

Density：

1.062 g/cm³ @ Temp: 20 °C

Melting Point：

5 °C

Boiling Point：

267 °C

Flash Point：

114.1ºC

Refractive Index：

1.606-1.608

Storage Conditions：

-20ºC

Vapor Pressure：

0.0132mmHg at 25°C

Safety Information

hazard class code：

R36/37/38

safety instructions：

S26-S36

Marks：

Stability/Shelf Life：

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

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 93 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:131.17
XLogP3:2.4
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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