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1,3-Dichloropropane solution - analytical standard,1000ug/ml in methanol, high purity , CAS No.142-28-9
Basic Description
Synonyms
1,3-DICHLOROPROPANE | 142-28-9 | Trimethylene dichloride | Propane, 1,3-dichloro- | 1,3-Dichloro-propane | CH2ClCH2CH2Cl | AJ1HQ2GUCP | Cl(CH2)3Cl | DTXSID6022004 | NSC-6204 | R 270fa | 26638-19-7 | Trimethylene Chloride | CCRIS 9220 | HSDB 5482 | Dichloropropane, 1,3- | UNII-AJ1HQ2GUCP
Specifications & Purity
analytical standard, 1000ug/ml in methanol
Shipped In
Normal
Grade
analytical standard
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organohalogen compounds
Class
Organochlorides
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Organochlorides
Alternative Parents
Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aliphatic acyclic compounds
Substituents
Hydrocarbon derivative - Organochloride - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as organochlorides. These are compounds containing a chemical bond between a carbon atom and a chlorine atom.
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
1,3-dichloropropane
INCHI
InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2
InChIKey
YHRUOJUYPBUZOS-UHFFFAOYSA-N
Smiles
C(CCl)CCl
Isomeric SMILES
C(CCl)CCl
WGK Germany
1
UN Number
1993
Packing Group
I
Molecular Weight
112.99
Beilstein
505960
Reaxy-Rn
505960
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=505960&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index
n20/D 1.448 (lit.)
Flash Point(°C)
21°C
Boil Point(°C)
122°C
Melt Point(°C)
−99 °C (lit.)
Molecular Weight
112.980 g/mol
XLogP3
2.000
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
2
Exact Mass
111.985 Da
Monoisotopic Mass
111.985 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
5
Formal Charge
0
Complexity
12.400
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
Citations of This Product
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5 Citations
J1522097