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(S)-1-(2-Chlorophenyl)ethanol - 98%, high purity , CAS No.131864-71-6

COA

Grade & Purity:

≥98%

Cas Number: 131864-71-6
Molecular Weight: 156.61
MDL number: MFCD06659506
PubChem CID: 6999091
PubChem SID: 504764468

In stock

Item Number

S132117

Grouped product items
SKU	Size	Availability	Price
S132117-50mg	50mg	1	$13.90
S132117-200mg	200mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$47.90
S132117-250mg	250mg	1	$52.90
S132117-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$162.90

Basic Description

Synonyms	(S)-1-(2-chlorophenyl)ethanol \| 131864-71-6 \| (1S)-1-(2-chlorophenyl)ethanol \| (1S)-1-(2-chlorophenyl)ethan-1-ol \| BENZENEMETHANOL, 2-CHLORO-ALPHA-METHYL-, (ALPHAS)- \| (S)-2-Chloro-alpha-methylbenzyl Alcohol \| MFCD06659506 \| SCHEMBL316799 \| DTXSID10426434 \| DDUBOVLGCYUYFX-
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Halobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Chlorobenzenes
Alternative Parents	Aryl chlorides Secondary alcohols Organochlorides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Chlorobenzene - Aryl halide - Aryl chloride - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Organochloride - Organohalogen compound - Alcohol - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
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	504764468
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504764468
IUPAC Name	(1S)-1-(2-chlorophenyl)ethanol
INCHI	InChI=1S/C8H9ClO/c1-6(10)7-4-2-3-5-8(7)9/h2-6,10H,1H3/t6-/m0/s1
InChIKey	DDUBOVLGCYUYFX-LURJTMIESA-N
Smiles	CC(C1=CC=CC=C1Cl)O
Isomeric SMILES	C[C@@H](C1=CC=CC=C1Cl)O
Molecular Weight	156.61
Reaxy-Rn	2078679
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2078679&ln=

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

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Lot Number	Certificate Type	Date	Item
D2030060	Certificate of Analysis	Feb 09, 2023	S132117

Chemical and Physical Properties

Solubility	Slightly soluble in water.
Molecular Weight	156.610 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	156.034 Da
Monoisotopic Mass	156.034 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	105.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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