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(R)-(+)-3-Chloro-1-phenyl-1-propanol - >98.0%(GC), high purity , CAS No.100306-33-0

COA

Grade & Purity:

≥98%(GC)

Cas Number: 100306-33-0
Molecular Weight: 170.64
Beilstein Registry Number: 5250766
MDL number: MFCD00075128
PubChem CID: 642409
PubChem SID: 504759718

In stock

Item Number

C123100

Grouped product items
SKU	Size	Availability	Price
C123100-250mg	250mg	3	$19.90
C123100-1g	1g	3	$60.90
C123100-5g	5g	3	$273.90
C123100-10g	10g	3	$492.90
C123100-25g	25g	3	$1,108.90
C123100-100g	100g	2	$3,989.90

View related series

asymmetric synthesis (590) Chiral non heterocyclic block (287)

Basic Description

Synonyms	DB06934 \| JZFUHAGLMZWKTF-SECBINFHSA-N \| (R)-(+)-3-Chloro-1-phenyl-1-propanol, 98% \| R(+)-ALPHA-(2-CHLOROETHYL)BENZYL ALCOHOL \| AKOS015888236 \| DTXSID50349017 \| MFCD00075128 \| Benzenemethanol, alpha-(2-chloroethyl)-, (alphaR)- \| (R)-(+)-3-Chloro-1-phenyl-1
Specifications & Purity	≥98%(GC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzene and substituted derivatives
Alternative Parents	Secondary alcohols Organochlorides Hydrocarbon derivatives Aromatic alcohols Alkyl chlorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Monocyclic benzene moiety - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Alcohol - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
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	504759718
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504759718
IUPAC Name	(1R)-3-chloro-1-phenylpropan-1-ol
INCHI	InChI=1S/C9H11ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2/t9-/m1/s1
InChIKey	JZFUHAGLMZWKTF-SECBINFHSA-N
Smiles	C1=CC=C(C=C1)C(CCCl)O
Isomeric SMILES	C1=CC=C(C=C1)[C@@H](CCCl)O
WGK Germany	3
Molecular Weight	170.64
Beilstein	5250766
Reaxy-Rn	2413850
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2413850&ln=

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

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

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
H1929061	Certificate of Analysis	Jun 08, 2023	C123100
I1419063	Certificate of Analysis	Jul 14, 2022	C123100
I1418118	Certificate of Analysis	Jul 13, 2022	C123100
G2228653	Certificate of Analysis	May 30, 2022	C123100
G2228654	Certificate of Analysis	May 30, 2022	C123100
G2228655	Certificate of Analysis	May 30, 2022	C123100
G2228651	Certificate of Analysis	May 30, 2022	C123100
F1420064	Certificate of Analysis	Apr 22, 2022	C123100

Chemical and Physical Properties

Specific Rotation[α]	26°C
Melt Point(°C)	59°C
Molecular Weight	170.630 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	170.05 Da
Monoisotopic Mass	170.05 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	99.700
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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