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Pyrrole-3-carboxaldehyde

Pyrrole-3-carboxaldehyde structure

CAS No:
7126-39-8
Formula:
C5H5NO
Chemical Name:
Pyrrole-3-carboxaldehyde
Synonyms:
1H-Pyrrole-3-carboxaldehyde;Pyrrole-3-carboxaldehyde;3-Formylpyrrole;1H-Pyrrole-3-carbaldehyde
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Pyrrole-3-carboxaldehyde Basic Attributes

Molecular Weight：

95.1

Exact Mass：

95.10

DSSTox ID：

DTXSID40348716

HScode：

2933990090

Characteristics

PSA：

32.9

XLogP3：

0.2

Density：

1.2±0.1 g/cm3

Melting Point：

64 °C

Flash Point：

103.9±27.3 °C

Refractive Index：

1.607

Safety Information

hazard class code：

safety instructions：

36/37

Marks：

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:95.10
XLogP3:0.2
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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