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1-chloro-1,2,2-trifluoro-ethene; ethene; 3,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene structure
1-chloro-1,2,2-trifluoro-ethene; ethene; 3,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene structure

1-chloro-1,2,2-trifluoro-ethene; ethene; 3,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene

Iupac Name:(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CAS No.:87-78-5
Molecular Weight:182.17200
1. Names and Identifiers
1.1 Name
1-chloro-1,2,2-trifluoro-ethene; ethene; 3,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene
1.2 Synonyms

1-chloro-1,2,2-trifluoro-ethene 1-Propene, 3,3,3-trifluoro-2-(trifluoromethyl)-, polymer with chlorotrifluoroethene and ethene 3,3,3-Trifluoro-2-(trifluoromethyl)-1-propene polymer with chlorotrifluoroethene and ethene 3,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene Chlorotrifluoroethylene-ethylene-hexafluoroisobutylene terpolymer

1.3 CAS No.
87-78-5
1.4 CID
6251
1.5 EINECS(EC#)
249-955-7
1.6 Molecular Formula
C10H13NO2 (isomer)
1.7 Inchi
InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1
1.8 InChkey
FBPFZTCFMRRESA-KVTDHHQDSA-N
1.9 Canonical Smiles
C(C(C(C(C(CO)O)O)O)O)O
1.10 Isomers Smiles
C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O
2. Properties
2.1 Density
1.107
2.2 Melting Point
166-168ºC
2.3 Boiling Point
°Cat760mmHg
2.4 Refractive Index
1.597
2.5 Flash Point
153.6°C
2.6 Alpha
141 o (C= USP-DIRECTIVES)
3. Safety and Handling
3.1 Risk Statements
R36/37/38
3.2 Safety Statements
S24/25-S22
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight:182.17200g/mol
  • Molecular Formula:C10H13NO2
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:182.07903816
  • Monoisotopic Mass:182.07903816
  • Complexity:105
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:6
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:121
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:4
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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