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4-Pyridinecarboxaldehyde

4-Pyridinecarboxaldehyde structure

CAS No:
872-85-5
Formula:
C6H5NO
Chemical Name:
4-Pyridinecarboxaldehyde
Synonyms:
4-Pyridinecarboxaldehyde;Isonicotinaldehyde;4-Pyridinealdehyde;p-Pyridinealdehyde;4-Formylpyridine;Pyridine-4-carbaldehyde;Isonicotinic aldehyde;γ-Formylpyridine;Pyridin-4-al;Pyridin-4-ylcarboxaldehyde;p-Formylpyridine;NSC 8953;Pyridin-4-carboxaldehyde;4-Pyridylcarboxyaldehyde;p-Pyridylaldehyde;942039-01-2
Categories:
Organic Chemistry > Aldehydes

Description

4-Pyridinecarboxaldehyde(4PCA) is a slightly yellow oily liquid. Its relative density is 1.122, and its refractive index is 1.5352 (25°C). Flash point is 54 ° C. 4-Pyridinecarboxaldehyde is soluble in water and ether.4-Pyridinecarboxaldehyde, also commonly called pyridine-2-carboxaldehyde, is an organic compound with the formula NC5H4CHO. 4-Pyridinecarboxaldehyde is a colorless oily liquid with a distinctive odor. Older samples are often brown-colored owing to impurities.
clear yellow-br

4-Pyridinecarboxaldehyde Basic Attributes

Molecular Weight：

107.11

Exact Mass：

107.11

BRN：

105342

EC Number：

212-832-3

NSC Number：

8953

DSSTox ID：

DTXSID1061237

HScode：

29333999

Characteristics

PSA：

XLogP3：

0.4

Appearance：

clear brown-yellow liquid (clear)

Density：

1.1±0.1 g/cm3

Melting Point：

79-81 °C

Boiling Point：

77-78 °C

Flash Point：

130 °F

Refractive Index：

1.573

Water Solubility：

H2O: 20 g/L (20 ºC)

Storage Conditions：

2-8°C

Vapor Pressure：

0.02 hPa (20 °C)

Toxicity：

LD50 orally in Rabbit: 2355 mg/kg LD50 dermal Rat > 2000 mg/kg

Henrys Law Constant：

1.77e-07 atm-m3/mole

Safety Information

Packing level：

III

Hazard category：

3.2

Transport codes：

UN 1989

wgk germany：

hazard class code：

36/37/38-10

safety instructions：

26-36-36/37/39-16

RTECS Number：

NR9400000

Marks：

Xi,F

Hazard note：

Irritant/Keep Cold/Air Sensitive

Precautionary statement(s)：

P280-P305 + P351 + P338-P337 + P313

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (94.12%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 51 companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Pyridinecarboxaldehyde Use and Manufacturing

Methods of Manufacturing

Derived from 4-picoline oxidation. The mixed gas of 4-picoline and air flows through the vanadium-molybdenum catalyst layer heated to 400° C. to oxidize to produce pyridine-4-formaldehyde.

Uses

Used in organic synthesis. 1. Synthesis of intermediates for the treatment of moderate to mild Alzheimer’s disease donepezil hydrochloride 2. For basic organic synthesis raw materials Preparation of pyridine-containing polymer (glass beads) for enzyme embedding; used as organic synthesis reagent

Manufacturing Info：

4-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:76.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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