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Pyrrole-2-carboxaldehyde

Pyrrole-2-carboxaldehyde structure

CAS No:
1003-29-8
Formula:
C5H5NO
Chemical Name:
Pyrrole-2-carboxaldehyde
Synonyms:
1H-Pyrrole-2-carboxaldehyde;Pyrrole-2-carboxaldehyde;2-Formylpyrrole;Pyrrole-2-aldehyde;2-Pyrrolylcarboxaldehyde;2-Pyrrolecarbaldehyde;2-Pyrrolaldehyde;NSC 112885;NSC 66394;Pyrrole-2-formaldehyde;2-Pyrrolecarboxaldehyde;1H-Pyrrole-2-carbaldehyde;Pyrrol-2-carbaldehyde;Pyrrole-2-carboxyaldehyde;129006-63-9;1610718-04-1
Categories:
Pharmaceutical Intermediates > Cardiovascular Agents

Description

Yellow FoamChEBI: A pyrrole carrying a formyl substituent at the 2-position.

Solid

Pyrrole-2-carboxaldehyde is a pyrrole carrying a formyl substituent at the 2-position. It is a member of pyrroles and a 1,3-thiazole-2-carbaldehyde.

Pyrrole-2-carboxaldehyde Basic Attributes

Molecular Weight：

95.1

Exact Mass：

95.10

BRN：

105745

EC Number：

213-705-5

UNII：

068TSM6S6P

NSC Number：

112885|66394

DSSTox ID：

DTXSID3061392

HScode：

29339990

Characteristics

PSA：

32.9

XLogP3：

0.6

Appearance：

White to brown Crystalline Low Melting Solid

Density：

1.3215 (rough estimate)

Melting Point：

46.5 °C

Boiling Point：

218 °C

Flash Point：

224 °F

Refractive Index：

1.5939

Water Solubility：

Soluble in chloroform, dimethyl sulfoxide and methanol. Insoluble in water.

Storage Conditions：

2-8°C

Vapor Pressure：

0.121mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36-24/25-37/39

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

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

Hazard Statements：

H315

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 140 companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

pyrrole-2-carbaldehyde

Pyrrole-2-carboxaldehyde Use and Manufacturing

Uses

2-pyrrole formaldehyde is used as an intermediate of medicine, organic and OLED materials.

Manufacturing Info：

1H-Pyrrole-2-carboxaldehyde: ACTIVE

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:95.10
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:95.037113783
Monoisotopic Mass:95.037113783
Topological Polar Surface Area:32.9
Heavy Atom Count:7
Complexity:72.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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