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3-Nitrobenzoyl Chloride - 99%, high purity , CAS No.121-90-4

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3-Nitrobenzoyl Chloride - 99%, high purity , CAS No.121-90-4

1 Citations

COA

Grade & Purity:

≥99%

Cas Number: 121-90-4
Molecular Weight: 185.56
Beilstein Registry Number: 777186
MDL number: MFCD00007247
PubChem CID: 8495
PubChem SID: 504751693

In stock

Item Number

N491483

Grouped product items
SKU	Size	Availability	Price
N491483-25g	25g	3	$105.90
N491483-100g	100g	4	$245.90
N491483-500g	500g	1	$910.90

Basic Description

Synonyms	3-Nitrobenzoyl chloride \| 121-90-4 \| M-NITROBENZOYL CHLORIDE \| Benzoyl chloride, 3-nitro- \| Benzoyl chloride, m-nitro- \| 3-Nitro-benzoyl chloride \| Chlorid kyseliny m-nitrobenzoove \| DTXSID9025740 \| CCRIS 1186 \| m-nitrobenzoylchloride \| NSC 5380 \| EINECS 204-505-9 \| BRN 0777186 \|
Specifications & Purity	≥99%
Storage Temp	Protected from light,Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Nitrobenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Nitrobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Nitrobenzenes
Alternative Parents	Benzoic acids and derivatives Nitroaromatic compounds Benzoyl derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Acyl chlorides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - C-nitro compound - Organic nitro compound - Acyl chloride - Acyl halide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
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

Associated Targets(Human)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504751693
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504751693
IUPAC Name	3-nitrobenzoyl chloride
INCHI	InChI=1S/C7H4ClNO3/c8-7(10)5-2-1-3-6(4-5)9(11)12/h1-4H
InChIKey	NXTNASSYJUXJDV-UHFFFAOYSA-N
Smiles	C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)Cl
Isomeric SMILES	C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)Cl
WGK Germany	3
UN Number	1760
Packing Group	I
Molecular Weight	185.56
Beilstein	777186
Reaxy-Rn	777186
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=777186&ln=

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
E23301208	Certificate of Analysis	May 19, 2023	N491483
E23301212	Certificate of Analysis	May 19, 2023	N491483
E23301209	Certificate of Analysis	May 19, 2023	N491483
E23301200	Certificate of Analysis	May 19, 2023	N491483
E23301201	Certificate of Analysis	May 19, 2023	N491483
E23301199	Certificate of Analysis	May 19, 2023	N491483

Chemical and Physical Properties

Solubility	Soluble in Benzene,Ether,Toluene
Sensitivity	Light Sensitive,Moisture Sensitive
Flash Point(°F)	230 °F
Flash Point(°C)	110 °C
Melt Point(°C)	27 °C
Molecular Weight	185.560 g/mol
XLogP3	2.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	184.988 Da
Monoisotopic Mass	184.988 Da
Topological Polar Surface Area	62.900 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	201.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Tianfu Wei, Gongke Li, Zhuomin Zhang. (2017) Rapid determination of trace semicarbazide in flour products by high-performance liquid chromatography based on a nucleophilic substitution reaction. JOURNAL OF SEPARATION SCIENCE, 40 (9): (1993-2001).

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