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trans-2-Methyl-2-butenoyl Chloride - 95%, high purity , CAS No.35660-94-7
Basic Description
Synonyms
(2E)-2-methylbut-2-enoyl chloride | DTXSID801299929 | MFCD00800725 | (E)-2-Methylcrotonoyl chloride | AKOS025296175 | trans-2-Methyl-2-butenoyl Chloride | Tigloyl Chloride | T1811 | TUNLYEHIVPWOHK-ONEGZZNKSA-N | (E)-2-Methyl-but-2-enoyl chloride | (E)-2-m
Specifications & Purity
≥95%
Storage Temp
Protected from light,Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organohalogen compounds
Class
Acyl halides
Subclass
Acyl chlorides
Intermediate Tree Nodes
Not available
Direct Parent
Acyl chlorides
Alternative Parents
Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic acyclic compounds
Substituents
Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Carbonyl group - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as acyl chlorides. These are organic compounds containing the functional group -CO-Cl.
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
IUPAC Name
(E)-2-methylbut-2-enoyl chloride
INCHI
InChI=1S/C5H7ClO/c1-3-4(2)5(6)7/h3H,1-2H3/b4-3+
InChIKey
TUNLYEHIVPWOHK-ONEGZZNKSA-N
Smiles
CC=C(C)C(=O)Cl
Isomeric SMILES
C/C=C(\C)/C(=O)Cl
WGK Germany
3
PubChem CID
5325503
Molecular Weight
118.56
Reaxy-Rn
1720303
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Light sensitive;Heat sensitive;Moisture sensitive
Refractive Index
1.47
Flash Point(°F)
111.2 °F
Flash Point(°C)
44 °C
Boil Point(°C)
145°C(lit.)
Molecular Weight
118.560 g/mol
XLogP3
2.000
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
1
Exact Mass
118.019 Da
Monoisotopic Mass
118.019 Da
Topological Polar Surface Area
17.100 Ų
Heavy Atom Count
7
Formal Charge
0
Complexity
105.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
1
Covalently-Bonded Unit Count
1
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C2310144