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1-(2,5-Dichlorophenyl)ethanol - 97%, high purity , CAS No.1475-12-3
Basic Description
Synonyms
1-(2,5-Dichlorophenyl)ethanol | 1475-12-3 | 2,5-Dichlorophenyl ethanol | 2,5-Dichloro-alpha-methylbenzyl alcohol | 1-(2,5-dichlorophenyl)ethan-1-ol | MFCD00021861 | Benzenemethanol, 2,5-dichloro-alpha-methyl- | 2,5-Dichlorophenylmethylcarbinol | EINECS 216-018-9 | NSC15736
Specifications & Purity
≥97%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Halobenzenes
Intermediate Tree Nodes
Chlorobenzenes
Direct Parent
Dichlorobenzenes
Alternative Parents
Aryl chlorides Secondary alcohols Organochlorides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
1,4-dichlorobenzene - 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 dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
External Descriptors
Not available
Data sources
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.
Names and Identifiers
Pubchem Sid
504754657
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504754657
IUPAC Name
1-(2,5-dichlorophenyl)ethanol
INCHI
InChI=1S/C8H8Cl2O/c1-5(11)7-4-6(9)2-3-8(7)10/h2-5,11H,1H3
InChIKey
RDMKUSDLLGKMCK-UHFFFAOYSA-N
Smiles
CC(C1=C(C=CC(=C1)Cl)Cl)O
Isomeric SMILES
CC(C1=C(C=CC(=C1)Cl)Cl)O
Molecular Weight
191.058
Reaxy-Rn
2359129
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2359129&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
191.050 g/mol
XLogP3
2.700
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
1
Exact Mass
189.995 Da
Monoisotopic Mass
189.995 Da
Topological Polar Surface Area
20.200 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
129.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
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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