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Benzenepropanol， 3-chloro- - ≥98%, high purity , CAS No.22991-03-3

COA

Grade & Purity:

≥98%

Cas Number: 22991-03-3
Molecular Weight: 170.64
MDL number: MFCD09028713
PubChem CID: 9989667

In stock

Item Number

B771005

Grouped product items
SKU	Size	Availability	Price	Qty
B771005-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$554.90

Basic Description

Specifications & Purity	≥98%
Storage Temp	Room temperature
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 Primary alcohols Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Chlorobenzene - Aryl halide - Aryl chloride - Organic oxygen compound - Hydrocarbon derivative - 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	3-(3-chlorophenyl)propan-1-ol
INCHI	InChI=1S/C9H11ClO/c10-9-5-1-3-8(7-9)4-2-6-11/h1,3,5,7,11H,2,4,6H2
InChIKey	XPEMWIXPCKLTBK-UHFFFAOYSA-N
Smiles	C1=CC(=CC(=C1)Cl)CCCO
Isomeric SMILES	C1=CC(=CC(=C1)Cl)CCCO
PubChem CID	9989667
Molecular Weight	170.64

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	170.630 g/mol
XLogP3	2.800
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	106.000
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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