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2-Nitrocinnamaldehyde

2-Nitrocinnamaldehyde structure

CAS No:
1466-88-2
Formula:
C9H7NO3
Chemical Name:
2-Nitrocinnamaldehyde
Synonyms:
2-Propenal,3-(2-nitrophenyl)-;Cinnamaldehyde,o-nitro-;3-(2-Nitrophenyl)-2-propenal;o-Nitrocinnamaldehyde;2-Nitrocinnamaldehyde;NSC 28458;2-Nitrocinnamic aldehyde;3-(2-Nitrophenyl)propenal
Categories:
Chemical Reagents > Organic Reagents

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Description

light yellow to yellow-brown crystals or powder

2-Nitrocinnamaldehyde Basic Attributes

Molecular Weight：

177.16

Exact Mass：

177.16

BRN：

908376

EC Number：

215-988-0

HScode：

29130000

Characteristics

PSA：

62.9

XLogP3：

1.67

Appearance：

Light yellow to yellow-brown Crystals or Powder

Density：

1.3312 (rough estimate)

Melting Point：

127 °C @ Solvent: Ethanol

Boiling Point：

309.06°C (rough estimate)

Flash Point：

178.1±16.0 °C

Refractive Index：

1.5200 (estimate)

Water Solubility：

Soluble in methanol. Insoluble in water.

Storage Conditions：

Refrigerator (+4°C)

Safety Information

wgk germany：

hazard class code：

36/38-43

safety instructions：

26-36-36/37

Marks：

Precautionary statement(s)：

P261, P264, P272, P280, P302+P352, P305+P351+P338, P321, P332+P313, P333+P313, P337+P313, P362, P363, P501

Hazard Statements：

H315

Computed Properties

Molecular Weight:177.16
XLogP3:1.4
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:219
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes