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1,1,2-Trichloropropane - >96.0%(GC), high purity , CAS No.598-77-6
Basic Description
Synonyms
HCC 260DB | DTXSID3024362 | SCHEMBL868495 | CAS-598-77-6 | FT-0632489 | LS-12954 | AKOS006230423 | NCGC00248597-01 | EINECS 209-951-8 | MFCD00018864 | D92379 | DTXCID604362 | T0686 | Q27290517 | Tox21_200408 | U085TG80D1 | 1,1,2-TRICHLOROPROPANE | NCGC002
Specifications & Purity
≥96%(GC)
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
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.
Names and Identifiers
Pubchem Sid
504752185
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504752185
IUPAC Name
1,1,2-trichloropropane
INCHI
InChI=1S/C3H5Cl3/c1-2(4)3(5)6/h2-3H,1H3
InChIKey
GRSQYISVQKPZCW-UHFFFAOYSA-N
Smiles
CC(C(Cl)Cl)Cl
Isomeric SMILES
CC(C(Cl)Cl)Cl
RTECS
TZ8925000
PubChem CID
11733
Molecular Weight
147.42
Beilstein
1(4)199
Reaxy-Rn
1731988
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index
1.47
Flash Point(°C)
44 °C
Boil Point(°C)
133°C
Molecular Weight
147.430 g/mol
XLogP3
2.600
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
1
Exact Mass
145.946 Da
Monoisotopic Mass
145.946 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
6
Formal Charge
0
Complexity
35.000
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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G2028059