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2-Nitrobenzoyl chloride - 96%, high purity , CAS No.610-14-0

2 Citations

COA

Grade & Purity:

≥96%

Cas Number: 610-14-0
Molecular Weight: 185.56
Beilstein Registry Number: 777991
EC Number: 210-206-4
MDL number: MFCD00007131
PubChem CID: 11875

In stock

Item Number

N106597

Grouped product items
SKU	Size	Availability	Price
N106597-1g	1g	3	$9.90
N106597-5g	5g	3	$36.90
N106597-25g	25g	3	$118.90
N106597-100g	100g	3	$427.90

Basic Description

Synonyms	2-Nitrobenzoyl chloride \| 2-nitro-benzoyl chloride \| O-NITROBENZOYL CHLORIDE \| NCGC00257894-01 \| AKOS005259174 \| Q27269768 \| UNII-86W2G0JA5Q \| EN300-26497 \| BRN 0777991 \| Tox21_200340 \| NITROBENZOYL CHLORIDE, O- \| SCHEMBL103644 \| CAS-610-14-0 \| FT-0613185
Specifications & Purity	≥96%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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)

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

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

Associated Targets(non-human)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

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

IUPAC Name	2-nitrobenzoyl chloride
INCHI	InChI=1S/C7H4ClNO3/c8-7(10)5-3-1-2-4-6(5)9(11)12/h1-4H
InChIKey	BWWHTIHDQBHTHP-UHFFFAOYSA-N
Smiles	C1=CC=C(C(=C1)C(=O)Cl)[N+](=O)[O-]
Isomeric SMILES	C1=CC=C(C(=C1)C(=O)Cl)[N+](=O)[O-]
WGK Germany	3
RTECS	DM6650000
UN Number	1759
Packing Group	I
Molecular Weight	185.56
Beilstein	777991
Reaxy-Rn	777991
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=777991&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.

10 results found

Lot Number	Certificate Type	Date	Item
B2320065	Certificate of Analysis	Nov 11, 2024	N106597
B2320064	Certificate of Analysis	Nov 11, 2024	N106597
B2320074	Certificate of Analysis	Nov 11, 2024	N106597
B2320066	Certificate of Analysis	Nov 11, 2024	N106597
C2218330	Certificate of Analysis	Dec 18, 2023	N106597
C2218326	Certificate of Analysis	Dec 18, 2023	N106597
G2123266	Certificate of Analysis	Apr 18, 2023	N106597
G2123265	Certificate of Analysis	Apr 18, 2023	N106597
E1909059	Certificate of Analysis	Dec 14, 2022	N106597
C2218325	Certificate of Analysis	Feb 14, 2022	N106597

Chemical and Physical Properties

Sensitivity	Moisture sensitive
Refractive Index	1.5666-1.5686
Flash Point(°F)	235.4 °F
Flash Point(°C)	113 °C
Boil Point(°C)	148-149°C
Melt Point(°C)	17-20°C
Molecular Weight	185.560 g/mol
XLogP3	2.400
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

Alternative Products

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Wenjie Deng, Jie Yao, Lei Shi, Wensheng Wei, Fei Chen, Guangwen Xu. (2022) A newfound ionic liquid with unprecedented activity for multiple base-catalyzed reactions. CHEMICAL ENGINEERING JOURNAL, 427 (131955).
2. 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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