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4-(3-Chloro-2-fluorophenyl)-2-methylbut-3-yn-2-ol - 95%, high purity , CAS No.1187385-72-3

COA

Grade & Purity:

≥95%

Cas Number: 1187385-72-3
Molecular Weight: 212.6
PubChem CID: 46739813

In stock

Item Number

C179913

Grouped product items
SKU	Size	Availability	Price	Qty
C179913-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,443.90
C179913-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$4,062.90

Discover 4-(3-Chloro-2-fluorophenyl)-2-methylbut-3-yn-2-ol by Aladdin Scientific in 95% for only $1,443.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	4-(3-CHLORO-2-FLUOROPHENYL)-2-METHYLBUT-3-YN-2-OL \| 1187385-72-3 \| DTXSID20675395 \| MFCD12913965 \| AKOS015848675 \| BS-23153 \| A892994 \| 4-(3-Chloro-2-fluorophenyl)-2-methyl but-3-yn-2-ol
Specifications & Purity	≥95%
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	Fluorobenzenes
Alternative Parents	Chlorobenzenes Ynones Aryl fluorides Aryl chlorides Tertiary alcohols Organofluorides Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Fluorobenzene - Chlorobenzene - Ynone - Aryl halide - Aryl fluoride - Aryl chloride - Tertiary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organochloride - Organohalogen compound - Alcohol - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
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	4-(3-chloro-2-fluorophenyl)-2-methylbut-3-yn-2-ol
INCHI	InChI=1S/C11H10ClFO/c1-11(2,14)7-6-8-4-3-5-9(12)10(8)13/h3-5,14H,1-2H3
InChIKey	KUQCWTGOKZLVCH-UHFFFAOYSA-N
Smiles	CC(C)(C#CC1=C(C(=CC=C1)Cl)F)O
Isomeric SMILES	CC(C)(C#CC1=C(C(=CC=C1)Cl)F)O
Molecular Weight	212.6
Reaxy-Rn	35436021
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35436021&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	212.650 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	212.04 Da
Monoisotopic Mass	212.04 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	263.000
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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