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61921-33-3

61921-33-3 Structure

61921-33-3 Structure
IdentificationBack Directory
[Name]

TRANS-4-NITROCINNAMOYL CHLORIDE
[CAS]

61921-33-3
[Synonyms]

TRANS-4-NITROCINNAMOYL CHLORIDE
3-(4-nitrophenyl)acryloyl chloride
trans-4-Nitrocinnamoyl chloride 97%
(E)-3-(4-nitrophenyl)acryloyl chloride
(2E)-3-(4-nitrophenyl)acryloyl chloride
2-propenoyl chloride, 3-(4-nitrophenyl)-, (2E)-
[Molecular Formula]

C9H6ClNO3
[MDL Number]

MFCD00082549
[MOL File]

61921-33-3.mol
[Molecular Weight]

211.6
Chemical PropertiesBack Directory
[Melting point ]

150-153 °C(lit.)
[Boiling point ]

319.6±17.0 °C(Predicted)
[density ]

1.403±0.06 g/cm3(Predicted)
[form ]

powder
[InChI]

1S/C9H6ClNO3/c10-9(12)6-3-7-1-4-8(5-2-7)11(13)14/h1-6H/b6-3+
[InChIKey]

RUPXNPWALFDXJD-ZZXKWVIFSA-N
[SMILES]

[O-][N+](=O)c1ccc(\C=C\C(Cl)=O)cc1
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)
GHS05
[Signal word ]

Danger
[Hazard statements ]

H314
[Precautionary statements ]

P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
[Hazard Codes ]

C
[Risk Statements ]

34
[Safety Statements ]

26-36/37/39-45
[RIDADR ]

UN 3261 8/PG 2
[WGK Germany ]

3
[HazardClass ]

8
[PackingGroup ]

III
[Storage Class]

8A - Combustible corrosive hazardous materials
[Hazard Classifications]

Eye Dam. 1
Skin Corr. 1B
Hazard InformationBack Directory
[Uses]

trans-4-Nitrocinnamoyl chloride may be used as derivatization reagent for the analysis of perhexiline and its monohydroxy metabolite in plasma by HPLC. It may be used as derivatization reagent to investigate the in vitro enzyme kinetics and CYP isoform selectivity of perhexiline monohydroxylation using human liver microsomes.
Spectrum DetailBack Directory
[Spectrum Detail]

TRANS-4-NITROCINNAMOYL CHLORIDE(61921-33-3)1HNMR
TRANS-4-NITROCINNAMOYL CHLORIDE(61921-33-3)IR
TRANS-4-NITROCINNAMOYL CHLORIDE(61921-33-3)Raman
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