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1H-Pyrrole-1-carboxylic acid, methyl ester

1H-Pyrrole-1-carboxylic acid, methyl ester structure

CAS No:
4277-63-8
Formula:
C6H7NO2
Chemical Name:
1H-Pyrrole-1-carboxylic acid, methyl ester
Synonyms:
1H-Pyrrole-1-carboxylic acid,methyl ester;Pyrrole-1-carboxylic acid,methyl ester;Methyl 1-pyrrolecarboxylate;N-(Methoxycarbonyl)pyrrole;N-Carbomethoxypyrrole;Methyl 1H-pyrrole-1-carboxylate

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Description

clear colorless to very slightly yellow liquid

1H-Pyrrole-1-carboxylic acid, methyl ester Basic Attributes

Molecular Weight：

125.13

Exact Mass：

125.13

EC Number：

224-281-6

DSSTox ID：

DTXSID20195422

HScode：

2933990090

Characteristics

PSA：

31.2

XLogP3：

1.19

Density：

1.1±0.1 g/cm3

Melting Point：

166-167°C

Boiling Point：

168-170 °C

Flash Point：

140 °F

Refractive Index：

1.502

Storage Conditions：

Room temperature.

Safety Information

Transport codes：

UN 3272 3/PG 3

wgk germany：

hazard class code：

36/37/38-22

safety instructions：

24/25

Marks：

Xi,Xn

Hazard note：

Irritant

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, P501

Hazard Statements：

H226

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:125.13
XLogP3:0.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:125.047678466
Monoisotopic Mass:125.047678466
Topological Polar Surface Area:31.2
Heavy Atom Count:9
Complexity:108
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1H-Pyrrole-1-carboxylic acid, methyl ester

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

1H-Pyrrole-1-carboxylic acid, methyl ester

SDS

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