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4-Nitrocinnamaldehyde(cis- and trans- mixture) - 98%, high purity , CAS No.1734-79-8

COA

Grade & Purity:

≥98%

Cas Number: 1734-79-8
Molecular Weight: 177.16
Beilstein Registry Number: 1565424
EC Number: 217-076-8
MDL number: MFCD00007379
PubChem CID: 5354135

In stock

Item Number

T102142

Grouped product items
SKU	Size	Availability	Price
T102142-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$26.90
T102142-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$93.90
T102142-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$329.90

View related series

aldehyde (388) Non heterocyclic block (8163)

Basic Description

Synonyms	4-Nitrocinnamaldehyde, predominantly trans \| (E)-4-Nitrocinnamaldehyde \| 3-(4-nitrophenyl)acrylaldehyde \| 4-Nitrocinnamaldehyde, predominantly trans, 98% \| MFCD00895399 \| CCRIS 3774 \| Biomol-NT_000038 \| Harnstoff, symmetischer der 3-aminobenzoyl-3-amino-4
Specifications & Purity	≥98%
Storage Temp	Store at -20°C,Argon charged
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Cinnamaldehydes

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Cinnamaldehydes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Cinnamaldehydes
Alternative Parents	Nitrobenzenes Styrenes Nitroaromatic compounds Enals Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Cinnamaldehyde - Nitrobenzene - Nitroaromatic compound - Styrene - Monocyclic benzene moiety - Benzenoid - Alpha,beta-unsaturated aldehyde - Enal - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Aldehyde - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as cinnamaldehydes. These are organic aromatic compounds containing a cinnamlaldehyde moiety, consisting of a benzene and an aldehyde group to form 3-phenylprop-2-enal.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	(E)-3-(4-nitrophenyl)prop-2-enal
INCHI	InChI=1S/C9H7NO3/c11-7-1-2-8-3-5-9(6-4-8)10(12)13/h1-7H/b2-1+
InChIKey	ALGQVMMYDWQDEC-OWOJBTEDSA-N
Smiles	C1=CC(=CC=C1C=CC=O)[N+](=O)[O-]
Isomeric SMILES	C1=CC(=CC=C1/C=C/C=O)[N+](=O)[O-]
WGK Germany	3
RTECS	GD6650000
Alternate CAS	49678-08-2
PubChem CID	5354135
Molecular Weight	177.16
Beilstein	1565424
Reaxy-Rn	1073057

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot Number	Certificate Type	Date	Item
I2424734	Certificate of Analysis	Sep 29, 2024	T102142
I2424735	Certificate of Analysis	Sep 29, 2024	T102142
I2424736	Certificate of Analysis	Sep 29, 2024	T102142
D2402472	Certificate of Analysis	Mar 14, 2024	T102142
D2402473	Certificate of Analysis	Mar 14, 2024	T102142
D2402439	Certificate of Analysis	Mar 14, 2024	T102142

Chemical and Physical Properties

Sensitivity	Air sensitive.
Melt Point(°C)	139-142°C
Molecular Weight	177.160 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	177.043 Da
Monoisotopic Mass	177.043 Da
Topological Polar Surface Area	62.900 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	211.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

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