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4-Nitrocinnamaldehyde

4-Nitrocinnamaldehyde structure

CAS No:
1734-79-8
Formula:
C9H7NO3
Chemical Name:
4-Nitrocinnamaldehyde
Synonyms:
2-Propenal,3-(4-nitrophenyl)-;Cinnamaldehyde,p-nitro-;3-(4-Nitrophenyl)-2-propenal;p-Nitrocinnamaldehyde;4-Nitrocinnamaldehyde;NSC 1318;4-Nitrocinnamic aldehyde;4-Nitrocinnamaldahyde;3-(4-Nitrophenyl)acrolein;3-(4-Nitrophenyl)acrylaldehyde;1619932-86-3
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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Description

beige to yellow-brown crystals or cryst. powder

4-Nitrocinnamaldehyde Basic Attributes

Molecular Weight：

177.16

Exact Mass：

177.16

BRN：

1565424

EC Number：

217-076-8

DSSTox ID：

DTXSID7061932

HScode：

29130000

Characteristics

PSA：

62.9

XLogP3：

1.5

Appearance：

beige to yellow-brown crystals or cryst. powder

Density：

1.3312 (rough estimate)

Melting Point：

137-140 °C

Boiling Point：

309.06°C (rough estimate)

Flash Point：

151.6±13.7 °C

Refractive Index：

1.5200 (estimate)

Water Solubility：

Insoluble in water.

Storage Conditions：

Refrigerator (+4°C)

Vapor Pressure：

0.000557mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/38

safety instructions：

26-36

RTECS Number：

GD6650000

Marks：

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H315-H319

4-Nitrocinnamaldehyde Use and Manufacturing

Manufacturing Info：

2-Propenal, 3-(4-nitrophenyl)-: ACTIVE

Computed Properties

Molecular Weight:177.16
XLogP3:1.5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:177.042593085
Monoisotopic Mass:177.042593085
Topological Polar Surface Area:62.9
Heavy Atom Count:13
Complexity:211
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes