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ert-Butyl phenyl carbonate - 88%, high purity , CAS No.6627-89-0
Basic Description
Synonyms
tert-Butyl phenyl carbonate | 6627-89-0 | t-Butyl phenyl carbonate | tert-Butylphenylcarbonate | DP3JXG8MSN | Carbonic acid, 1,1-dimethylethyl phenyl ester | MFCD00008804 | NSC-60248 | 1-tert-butoxycarbonyloxybenzene | EINECS 229-601-8 | Carbonic acidtert-butyl esterphenyl e
Specifications & Purity
≥88%
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
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenoxy compounds
Intermediate Tree Nodes
Not available
Direct Parent
Phenoxy compounds
Alternative Parents
Carbonic acid diesters Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxy compound - Carbonic acid diester - Carbonic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenoxy compounds. These are aromatic compounds contaning a phenoxy group.
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
tert-butyl phenyl carbonate
INCHI
InChI=1S/C11H14O3/c1-11(2,3)14-10(12)13-9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKey
UXWVQHXKKOGTSY-UHFFFAOYSA-N
Smiles
CC(C)(C)OC(=O)OC1=CC=CC=C1
Isomeric SMILES
CC(C)(C)OC(=O)OC1=CC=CC=C1
WGK Germany
3
Molecular Weight
194.23
Beilstein
2361602
Reaxy-Rn
2361602
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2361602&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Air Sensitive
Refractive Index
1.48
Flash Point(°F)
213.8 °F
Flash Point(°C)
101°C
Boil Point(°C)
78°C/0.5mmHg
Molecular Weight
194.230 g/mol
XLogP3
3.100
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
194.094 Da
Monoisotopic Mass
194.094 Da
Topological Polar Surface Area
35.500 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
187.000
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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A2424103