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2-Pyridinecarboxaldehyde

2-Pyridinecarboxaldehyde structure

CAS No:
1121-60-4
Formula:
C6H5NO
Chemical Name:
2-Pyridinecarboxaldehyde
Synonyms:
2-Pyridinecarboxaldehyde;Picolinaldehyde;Pyridine-2-aldehyde;2-Pyridaldehyde;2-Picolinaldehyde;2-Pyridinecarbaldehyde;o-Nicotinaldehyde;2-Formylpyridine;2-Pyridinaldehyde;Picolinal;2-Picolinealdehyde;2-Pyridylcarboxaldehyde;Picolinic aldehyde;α-Picolinaldehyde;α-Formylpyridine;Pyridin-2-al;o-Formylpyridine;Picolylaldehyde;NSC 8951;2-Pydridinecarboxaldehyde;o-Pyridinemethanal
Categories:
Organic Chemistry > Aldehydes

Description

Yellow liquidChEBI: A pyridinecarbaldehyde that is pyridine in which the hydrogen at position 2 is replaced by a formyl group.

2-formylpyridine is a pyridinecarbaldehyde that is pyridine in which the hydrogen at position 2 is replaced by a formyl group.

2-Pyridinecarboxaldehyde Basic Attributes

Molecular Weight：

107.11

Exact Mass：

107.11

BRN：

105341

EC Number：

214-333-6

NSC Number：

8951

DSSTox ID：

DTXSID1061522

HScode：

29333999

Characteristics

PSA：

XLogP3：

0.4

Appearance：

Clear yellow to yellow-brown liquid (strong colored)

Density：

1.1255 g/cm³ @ Temp: 18.5 °C

Melting Point：

148-151 °C

Boiling Point：

180 °C

Flash Point：

130 °F

Refractive Index：

n 20/D 1.536(lit.)

Water Solubility：

miscible

Storage Conditions：

2-8°C

Vapor Pressure：

0.906mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 1989 3/PG 3

wgk germany：

hazard class code：

10-22-36/37/38-51/53-46-43-34-23-52

safety instructions：

7-26-36-61-53-45-36/37/39-29-16-36/37

Marks：

Xn,Xi,N,T,F

Hazard note：

Irritant/Keep Cold/Air Sensitive

Precautionary statement(s)：

P260-P280-P284-P305 + P351 + P338-P310

Hazard Statements：

H302-H315-H317-H318-H330-H335

GHS Classification：

|Danger|H226 (18.31%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P272, P273, P280, P284, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P311, P312, P320, P321, P330, P332+P313, P333+P313, P362, P363, P370+P378, P391, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 71 companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2-pyridinecarboxaldehyde

2-Pyridinecarboxaldehyde Use and Manufacturing

Uses

Pyridine-2-carboxaldehyde was used to study the three-component coupling of dicarbonyl compounds catalyzed by indium chloride, aldehyde and urea/thiourea, to obtain pyrimidinone and pyrimidinethione. It is the raw material of organophosphate antidote Pam (PAM) and laxative bisacodyl (bisacodyl).

Manufacturing Info：

2-Pyridinecarboxaldehyde: ACTIVE

Computed Properties

Molecular Weight:107.11
XLogP3:0.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:107.037113783
Monoisotopic Mass:107.037113783
Topological Polar Surface Area:30
Heavy Atom Count:8
Complexity:82.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Toluene

2-Methylpyridine

Butyllithium

Tetrahydrofuran

Pyridine

Sulfuric acid, sodium salt

Acetone

Dimethylformamide

Acetonitrile

Hydrochloric acid

Sodium chloride

Sodium sulfate

PETROLEUM ETHER

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