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5-Methoxyindole

5-Methoxyindole structure

CAS No:
1006-94-6
Formula:
C9H9NO
Chemical Name:
5-Methoxyindole
Synonyms:
1H-Indole,5-methoxy-;Indole,5-methoxy-;5-Methoxy-1H-indole;5-Methoxyindole;Femedol;NSC 521752;Indol-5-yl methyl ether
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

white to light brownish crystalline powder

5-methoxyindole is a member of indoles.

5-Methoxyindole Basic Attributes

Molecular Weight：

147.177

Exact Mass：

147.17

EC Number：

213-745-3

UNII：

DQM3AS43PQ

NSC Number：

521752

DSSTox ID：

DTXSID80143424

HScode：

29339900

Characteristics

PSA：

XLogP3：

2.1

Appearance：

White solid.

Density：

1.1135 (rough estimate)

Melting Point：

56-58 °C

Boiling Point：

176-178 °C

Flash Point：

176-178°C/17mm

Refractive Index：

1.5310 (estimate)

Water Solubility：

insoluble

Storage Conditions：

2-8ºC

Vapor Pressure：

0.00234mmHg at 25°C

Safety Information

Hazard category：

IRRITANT, KEEP COLD, LIGHT SENSITIVE

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

26-36-24/25-37/39

RTECS Number：

NL9500000

Marks：

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

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 51 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

5-methoxy indole

Computed Properties

Molecular Weight:147.17
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:147.068413911
Monoisotopic Mass:147.068413911
Topological Polar Surface Area:25
Heavy Atom Count:11
Complexity:138
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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