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4-Pyridylacetone

4-Pyridylacetone structure

CAS No:
6304-16-1
Formula:
C8H9NO
Chemical Name:
4-Pyridylacetone
Synonyms:
2-Propanone,1-(4-pyridinyl)-;2-Propanone,1-(4-pyridyl)-;2-Propanone,(4-pyridyl)-;1-(4-Pyridinyl)-2-propanone;4-Acetonylpyridine;4-Pyridinylacetone;Methyl 4-pyridylmethyl ketone;1-(4-Pyridyl)-2-propanone;4-Pyridylacetone;4-(2-Oxopropyl)pyridine;NSC 42613;1-(Pyridin-4-yl)propan-2-one;1-(4-Pyridyl)-acetone;1-(Pyridin-4-yl)acetone
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Light yellow to yellow liquid

4-Pyridylacetone Basic Attributes

Molecular Weight：

135.16

Exact Mass：

135.16

BRN：

110960

EC Number：

228-605-7

UNII：

R6ONM9F2AU

NSC Number：

42613

DSSTox ID：

DTXSID20212325

HScode：

29337900

Characteristics

PSA：

XLogP3：

0.5

Density：

1.0±0.1 g/cm3

Melting Point：

13°C

Boiling Point：

76 °C @ Press: 0.1 Torr

Flash Point：

143°C/20mm

Refractive Index：

1.5225

Water Solubility：

Slightly soluble in water.

Safety Information

hazard class code：

36/37/38

safety instructions：

26-36/37/39-37

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H302 (83.33%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 48 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Pyridylacetone Use and Manufacturing

Pharmaceutical intermediate, mainly used in the synthesis of Milinone

Computed Properties

Molecular Weight:135.16
XLogP3:0.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:135.068413911
Monoisotopic Mass:135.068413911
Topological Polar Surface Area:30
Heavy Atom Count:10
Complexity:116
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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4-Pyridyl acetone CAS:6304-16-1

CAS No.: 6304-16-1

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Content: 99%

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4-Pyridyl acetone

CAS No.: 6304-16-1

Grade: Industrial Grade

Content: 99%

Inquiry