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4-Chloro-3-nitrobenzyl Alcohol - >98.0%(GC), high purity , CAS No.55912-20-4

COA

Grade & Purity:

≥98%(GC)

Cas Number: 55912-20-4
Molecular Weight: 187.58
Beilstein Registry Number: 6(4)2631
MDL number: MFCD00007086
PubChem CID: 91933
PubChem SID: 488186676

In stock

Item Number

C154116

Grouped product items
SKU	Size	Availability	Price
C154116-1g	1g	5	$9.90
C154116-5g	5g	3	$21.90
C154116-25g	25g	3	$67.90
C154116-100g	100g	2	$242.90

View related series

alcohol (850) Oxygenated compounds (806)

Basic Description

Synonyms	EINECS 259-901-4 \| EN300-79033 \| Benzyl alcohol, 4-chloro-:3-nitro- \| (4-Chloro-3-nitrophenyl)methanol \| (4-chloro-3-nitro-phenyl)-methanol \| 4-Chloro-3-nitrobenzyl alcohol, 98% \| DAlc2-H_000045 \| 3-nitro-4-chlorobenzyl alcohol \| DTXSID90204515 \| UNII-LXP
Specifications & Purity	≥98%(GC)
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	Nitroaromatic compounds Benzyl alcohols Chlorobenzenes Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organochlorides Organic zwitterions Organic oxides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrobenzene - Nitroaromatic compound - Benzyl alcohol - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organic nitrogen compound - Organohalogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Primary alcohol - Aromatic alcohol - Organic zwitterion - 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

Names and Identifiers

Pubchem Sid	488186676
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488186676
IUPAC Name	(4-chloro-3-nitrophenyl)methanol
INCHI	InChI=1S/C7H6ClNO3/c8-6-2-1-5(4-10)3-7(6)9(11)12/h1-3,10H,4H2
InChIKey	QLLRQJDSYJIXTN-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1CO)[N+](=O)[O-])Cl
Isomeric SMILES	C1=CC(=C(C=C1CO)[N+](=O)[O-])Cl
WGK Germany	3
Molecular Weight	187.58
Beilstein	6(4)2631
Reaxy-Rn	1953056
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1953056&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
E2006138	Certificate of Analysis	Feb 19, 2024	C154116
E2219042	Certificate of Analysis	Feb 21, 2022	C154116
E2219059	Certificate of Analysis	Feb 21, 2022	C154116
E2219058	Certificate of Analysis	Feb 21, 2022	C154116
E2219056	Certificate of Analysis	Feb 21, 2022	C154116
F2310964	Certificate of Analysis	Feb 21, 2022	C154116

Chemical and Physical Properties

Melt Point(°C)	66 °C
Molecular Weight	187.580 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	187.004 Da
Monoisotopic Mass	187.004 Da
Topological Polar Surface Area	66.100 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	171.000
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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