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(S)-1-(3-Chlorophenyl)propane-1，3-diol - ≥97%, high purity , CAS No.625095-57-0

COA

Grade & Purity:

≥97%

Cas Number: 625095-57-0
Molecular Weight: 186.63
MDL number: MFCD20484200
PubChem CID: 11446776

In stock

Item Number

P769833

Grouped product items
SKU	Size	Availability	Price	Qty
P769833-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$80.90
P769833-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$349.90

Basic Description

Specifications & Purity	≥97%
Storage Temp	Store at -20°C,Desiccated
Shipped In	Ice chest + Ice pads 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 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 Primary 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 - Primary 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

IUPAC Name	(1S)-1-(3-chlorophenyl)propane-1,3-diol
INCHI	InChI=1S/C9H11ClO2/c10-8-3-1-2-7(6-8)9(12)4-5-11/h1-3,6,9,11-12H,4-5H2/t9-/m0/s1
InChIKey	VJGRFGFLZJIODS-VIFPVBQESA-N
Smiles	C1=CC(=CC(=C1)Cl)C(CCO)O
Isomeric SMILES	C1=CC(=CC(=C1)Cl)[C@H](CCO)O
PubChem CID	11446776
Molecular Weight	186.63

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

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	186.630 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	186.045 Da
Monoisotopic Mass	186.045 Da
Topological Polar Surface Area	40.500 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	130.000
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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