Encyclopedia
EN
ZH
EN
ES
JP
Sign in
|
Join Free
Category
Organic Intermediates
Pharmaceuticals and Biochemicals
Basic Organic Chemicals
Agrochemicals
Inorganic Chemicals
Catalyst and Auxiliary
Custom Manufacturing
Food & Feed Additives
Daily Chemicals
Dyestuffs and Pigments
Laboratory Chemicals
Adhesives and Sealants
Flavour & Fragrance
Paint and Coatings
Polymer
Metals and Minerals
Encyclopedia
Chemicals Encyclopedia
Cosmetic Ingredients
Dictionary
English
Deutsch
Français
Español
日本語
한국어
Supplier
Buyer Request
TradeShow
FAQs
Structure Search
About Us
Encyclopedia
/
Others
/
Organic Intermediate
METHYL PENTAFLUOROBUT-3-ENOATE
CAS:
20562-79-2
MW:
190.069
MF:
C5H3F5O2
 
Email
 
Tweet
 
Share
Names and ldentifier
Msds
NMR Spectrum
Computational chemical data
Realated Product Infomation
1. Names and Identifiers
1.1 Name
METHYL PENTAFLUOROBUT-3-ENOATE
1.2 Synonyms
2,2,3,4,4-pentafluoro-3-butenoic acid methyl ester; 3-Butenoic acid, 2,2,3,4,4-pentafluoro-, methyl ester; METHYL PENTAFLUOROBUT-3-ENOATE; METHYL PENTAFLUOROBUTEN-3-OATE; METHYL PERFLUOROBUTEN-3-OATE;
1.3 CAS No.
20562-79-2
1.4 CID
140713
1.5 Molecular Formula
C5H3F5O2
1.6 Inchi
InChI=1S/C5H3F5O2/c1-12-4(11)5(9,10)2(6)3(7)8/h1H3
1.7 InChkey
AZKKPFXZCSUOGD-UHFFFAOYSA-N
1.8 Canonical Smiles
COC(=O)C(C(=C(F)F)F)(F)F
1.9 Isomers Smiles
COC(=O)C(C(=C(F)F)F)(F)F
2. MSDS
2.
Hazard identification
2.1
Classification of the substance or mixture
no data available
2.2
GHS label elements, including precautionary statements
Pictogram(s)
no data available
Signal word
no data available
Hazard statement(s)
no data available
Precautionary statement(s)
Prevention
no data available
Response
no data available
Storage
no data available
Disposal
no data available
2.3
Other hazards which do not result in classification
no data available
View all
3. NMR Spectrum
13C NMR : Predict
1H NMR : Predict
4. Synthesis Route
20562-79-2
Total: 1 Synthesis Route
67-56-1
382 Suppliers
44969-80-4
20562-79-2
3 Suppliers
5. Precursor and Product
precursor:
44969-80-4
67-56-1
product:
379-95-3
268226-88-6
63425-24-1
6. Computed Properties
Molecular Weight:
190.069g/mol
Molecular Formula:
C
5
H
3
F
5
O
2
Compound Is Canonicalized:
True
Exact Mass:
1.6
XLogP3-AA:
190.00532014
Monoisotopic Mass:
190.00532014
Complexity:
218
Rotatable Bond Count:
3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
7
Topological Polar Surface Area:
26.3
Heavy Atom Count::
12
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Isotope Atom Count:
0
Covalently-Bonded Unit Count:
1
CACTVS Substructure Key Fingerprint:
AAADcQBgMcAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGwAAAAAACAAAgBICCAAABACIAADQCAAAAAAgAAAAAAEAAAgAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
7. Toltal 3 Suppliers
View more
Dayang Chem (Hangzhou) Co., Ltd.
1YR
Tel:
Update Time:
2024/06/17
inquire
SynQuest Laboratories, Inc.
Tel:
Update Time:
2019/11/25
inquire
Interchim S.A.
Tel:
Update Time:
2019/11/25
inquire
8. Realated Product Infomation
Methyl hex-3-enoate
cas:2396-78-3
Methyl dodec-9-enoate
cas:39202-17-0
Methyl 3,3-dimethylpent-4-enoate
cas:63721-05-1
methyl (E)-hex-3-enoate
cas:13894-61-6
methyl 2,5,5-trimethylhept-4-enoate
cas:68891-90-7
Methyl-2-aMinopent-4-enoate
cas:70837-19-3
1. Names and Identifiers
1.1 Name
1.2 Synonyms
1.3 CAS No.
1.4 Molecular Formula
1.5 Inchi
1.6 InChkey
1.7 Canonical Smiles
1.8 Isomers Smiles
2.
Msds
3.
NMR Spectrum
4.
Synthesis Route
5.
Precursor and Product
6.
Computational chemical data
7.
Toltal 3 Suppliers
8.
Realated Product Infomation
Cancel
CAS
Products
Suppliers
Popular Searches
Request For Quotation