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4-Nitrochalcone

4-Nitrochalcone structure

CAS No:
1222-98-6
Formula:
C15H11NO3
Chemical Name:
4-Nitrochalcone
Synonyms:
2-Propen-1-one,3-(4-nitrophenyl)-1-phenyl-;Chalcone,4-nitro-;3-(4-Nitrophenyl)-1-phenyl-2-propen-1-one;4-Nitrochalcone;1-(4-Nitrophenyl)-3-oxo-3-phenylpropene;p-Nitrobenzylideneacetophenone;p-Nitrostyryl phenyl ketone;3-(p-Nitrophenyl)-1-phenyl-2-propen-1-one;4-Nitrostyryl phenyl ketone;NSC 3383;NSC 636936;p-Nitrochalcone;1-Phenyl-3-(4-nitrophenyl)-2-propenone;1-Phenyl-3-(4-nitrophenyl)-2-propen-1-one
Categories:
Chemical Reagents > Organic Reagents

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Description

yellow to brown crystalline powder

4-Nitrochalcone Basic Attributes

Molecular Weight：

253.25

Exact Mass：

253.25

BRN：

400543

EC Number：

214-949-5

DSSTox ID：

DTXSID7049211

HScode：

29147000

Characteristics

PSA：

62.89000

XLogP3：

3.79

Appearance：

yellow to brown crystalline powder

Density：

1.1934 (rough estimate)

Melting Point：

164.5 °C @ Solvent: Ethanol

Boiling Point：

396.45°C (rough estimate)

Flash Point：

186.5±18.5 °C

Refractive Index：

1.5500 (estimate)

Vapor Pressure：

1.4E-06mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

24/25

RTECS Number：

FL7075500

Marks：

GHS Classification：

|Warning|H315 (85.71%): Causes skin irritation [Warning Skin corrosion/irritation]|P201, P202, P261, P264, P271, P273, P280, P281, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 7 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Nitrochalcone Use and Manufacturing

Manufacturing Info：

2-Propen-1-one, 3-(4-nitrophenyl)-1-phenyl-: INACTIVE

Computed Properties

Molecular Weight:253.25
XLogP3:2.9
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:253.07389321
Monoisotopic Mass:253.07389321
Topological Polar Surface Area:62.9
Heavy Atom Count:19
Complexity:345
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes