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3-Pyridinecarboxaldehyde

3-Pyridinecarboxaldehyde structure

CAS No:
500-22-1
Formula:
C6H5NO
Chemical Name:
3-Pyridinecarboxaldehyde
Synonyms:
3-Pyridinecarboxaldehyde;Nicotinaldehyde;3-Pyridinealdehyde;β-Pyridinecarbonaldehyde;Rowalind;3-Pyridylcarboxaldehyde;3-Pyridinaldehyde;3-Formylpyridine;3-Pyridylaldehyde;Nicotinealdehyde;Nicotinic aldehyde;Pyridine-3-carbaldehyde;β-Formylpyridine;m-Formylpyridine;NSC 8952;Pyridine-5-carboxaldehyde;3-Pyridylcarboxyaldehyde;Pyridine-3-formaldehyde;Pyridine-3-carboxaldehyde
Categories:
Cosmetic Ingredient > Antimicrobials

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Description

clear yellow to light brown liquid

Pyridine-3-carbaldehyde is a pyridinecarbaldehyde that is pyridine substituted by a formyl group at position 3.

3-Pyridinecarboxaldehyde Basic Attributes

Molecular Weight：

107.11

Exact Mass：

107.11

EC Number：

207-900-4

UNII：

840R4IDQ1T

NSC Number：

8952

DSSTox ID：

DTXSID2022044

HScode：

29333999

Characteristics

PSA：

XLogP3：

0.3

Appearance：

clear brown-yellow liquid (clear)

Density：

1.1±0.1 g/cm3

Melting Point：

226 °C (decomp)

Boiling Point：

89.5 °C

Flash Point：

140 °F

Refractive Index：

1.573

Water Solubility：

Micible with water.

Storage Conditions：

2-8°C

Vapor Pressure：

0.3 hPa (20 °C)

Toxicity：

LD50 orally in Rabbit: 2355 mg/kg

Henrys Law Constant：

1.50e-07 atm-m3/mole

Safety Information

Packing level：

Ⅲ

Hazard category：

3.2

Transport codes：

UN 1989 3/PG 3

wgk germany：

hazard class code：

10-37/38-42/43-41-34-43-22-36/37/38

safety instructions：

26-39-45-36/37/39-23

RTECS Number：

QS2980000

Marks：

Xi,C,Xn

Hazard note：

Irritant/Keep Cold/Air Sensitive

Stability/Shelf Life：

Stable under normal shipping and handling conditions.

Precautionary statement(s)：

P261-P273-P280-P305 + P351 + P338

Hazard Statements：

H226-H302-H315-H317-H318-H335-H412

GHS Classification：

|Danger|H226 (20.6%): Flammable liquid and vapor [Warning Flammable liquids]|P201, P202, P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P272, P273, P280, P281, P285, P301+P312, P302+P352, P303+P361+P353, P304+P340, P304+P341, P305+P351+P338, P308+P313, P310, P312, P321, P330, P332+P313, P333+P313, P342+P311, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 199 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

3-pyridinaldehyde

3-Pyridinecarboxaldehyde Use and Manufacturing

Methods of Manufacturing

The preparation method is based on 3-cyanopyridine as raw material, and hydrogenation reaction is carried out in the presence of palladium/carbon catalyst to produce product.

Uses

3-Pyridinecarboxaldehyde is a substituted pyridine with niacin activity. 3-Pyridinecarboxaldehyde is a component of tobacco smoke.

Manufacturing Info：

3-Pyridinecarboxaldehyde: ACTIVE

Use Classification：

Environmental transformation -> Pesticide transformation products (metabolite, successor)

Agrochemical：

CGA300407 MB 10 is a known environmental transformation product of Pymetrozine.

Computed Properties

Molecular Weight:107.11
XLogP3:0.3
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

3-Cyanopyridine

Toluene

3-Methylpyridine

Butyllithium

Tetrahydrofuran

Dimethylformamide

Acetonitrile

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3-Pyridinecarboxaldehyde

CAS No.: 500-22-1

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