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Methylindole-3-carboxylate

Methylindole-3-carboxylate structure

CAS No:
942-24-5
Formula:
C10H9NO2
Chemical Name:
Methylindole-3-carboxylate
Synonyms:
RARECHEM AH BS 0112;3-Carbomethoxyindole;3-indole,Methyl forMate;3-Methoxycarbonylindole;Indole -3-Methyl forMate;Methyl 3-indolecarboxylate;METHYL INDOLE-3-CARBOXYLATE;METHYL-(3-INDOLCARBOXYLATE);Methyl indolyl-3-carboxylate;Methylindole-3-Carboxylate99%
Categories:
Natural Products > Alkaloids

Description

light brown amorphous powder

Methyl indole-3-carboxylate is the methyl ester of indole-3-carboxylic acid. It has a role as a metabolite. It is a member of indoles and a methyl ester. It derives from an indole-3-carboxylic acid.

Methylindole-3-carboxylate Basic Attributes

Molecular Weight：

175.18

Exact Mass：

175.063324

BRN：

142023

DSSTox ID：

DTXSID10343334

HScode：

2933990090

Characteristics

PSA：

42.1

XLogP3：

2.6

Appearance：

light pink powder

Density：

1.3±0.1 g/cm3

Melting Point：

149-152 °C(lit.)

Boiling Point：

331.7ºC at 760 mmHg

Flash Point：

154.4±20.4 °C

Refractive Index：

1.639

Water Solubility：

Slightly soluble methanol and dimethyl sulfoxide. Insoluble in water.

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36-37/39

Marks：

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

Computed Properties

Molecular Weight:175.18
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:175.063328530
Monoisotopic Mass:175.063328530
Topological Polar Surface Area:42.1
Heavy Atom Count:13
Complexity:205
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 942-24-5

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Content: 99%

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Methyl indole-3-carboxylate

CAS No.: 942-24-5

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Guide of Methylindole-3-carboxylate

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
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