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4-Chloro-3-nitrophenol - >98.0%(GC)(T), high purity , CAS No.610-78-6

COA

Grade & Purity:

≥98%(GC)(T)

Cas Number: 610-78-6
Molecular Weight: 173.55
Beilstein Registry Number: 2094550
MDL number: MFCD00043546
PubChem CID: 69127
PubChem SID: 488184226

In stock

Item Number

C153517

Grouped product items
SKU	Size	Availability	Price	Qty
C153517-5g	5g	9	$27.90
C153517-25g	25g	1	$98.90

View related series

Oxygenated compounds (806) phenol (506)

Basic Description

Synonyms	4-chloranyl-3-nitro-phenol \| EN300-175002 \| 2-chloro-5-hydroxy nitrobenzene \| 4-Chlor-3-nitro-phenol \| 3-nitro-4-chloro phenol \| 4-Chloro-3-nitrophenol, 98% \| AC-26255 \| FT-0618095 \| A833034 \| InChI=1/C6H4ClNO3/c7-5-2-1-4(9)3-6(5)8(10)11/h1-3,9 \| STR05013
Specifications & Purity	≥98%(GC)(T)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenols
    - Subclass Nitrophenols

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenols
Subclass	Nitrophenols
Intermediate Tree Nodes	Not available
Direct Parent	Nitrophenols
Alternative Parents	Nitrobenzenes P-chlorophenols Nitroaromatic compounds Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrophenol - Nitrobenzene - Nitroaromatic compound - 4-halophenol - 4-chlorophenol - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Organic nitro compound - C-nitro compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitrophenols. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both a hydroxyl group and a nitro group on two different ring carbon atoms.
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

Pubchem Sid	488184226
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488184226
IUPAC Name	4-chloro-3-nitrophenol
INCHI	InChI=1S/C6H4ClNO3/c7-5-2-1-4(9)3-6(5)8(10)11/h1-3,9H
InChIKey	JUIKCULGDIZNDI-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1O)[N+](=O)[O-])Cl
Isomeric SMILES	C1=CC(=C(C=C1O)[N+](=O)[O-])Cl
WGK Germany	3
Molecular Weight	173.55
Beilstein	2094550
Reaxy-Rn	2094546
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2094546&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.

4 results found

Lot Number	Certificate Type	Date	Item
C2330731	Certificate of Analysis	Apr 10, 2023	C153517
L2201258	Certificate of Analysis	Dec 07, 2022	C153517
C1828104	Certificate of Analysis	Jan 24, 2022	C153517
C1828102	Certificate of Analysis	Jan 24, 2022	C153517

Chemical and Physical Properties

Melt Point(°C)	127 °C
Molecular Weight	173.550 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	172.988 Da
Monoisotopic Mass	172.988 Da
Topological Polar Surface Area	66.100 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	158.000
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

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