1,2-Dichlorohexafluorocyclobutane

HCID 9643CAS 356-18-3

Substructure search Find similar structures

Basic information

Standard SMILES: FC1(F)C(F)(F)C(F)(Cl)C1(F)Cl
InChIKey: LMHAGAHDHRQIMB-UHFFFAOYSA-N
Molecular formula: C4Cl2F6
Average molar mass: 232.94 g/mol
Monoisotopic mass: 231.92812468

Names & identifiers

Preferred name: 1,2-Dichlorohexafluorocyclobutane
IUPAC: 1,2-dichloro-1,2,3,3,4,4-hexafluorocyclobutane
English name: 1,2-Dichlorohexafluorocyclobutane
Molecular formula: C4Cl2F6
Molecular weight: 232.94

Names & synonyms

1,2-Dichlorohexafluorocyclobutane356-18-31,2-Dichloro-1,2,3,3,4,4-hexafluorocyclobutaneDCPFCBRefChem:71866206-599-71,2-DichloroperfluorocyclobutaneC4Cl2F6Cyclobutane, 1,2-dichloro-1,2,3,3,4,4-hexafluoro-EINECS 206-599-7CYCLOBUTANE, 1,2-DICHLOROHEXAFLUORO-BRN 1909267

Show more names

FC-C-316Dichlorohexafluorocyclobutane1,2-dichlorohexafluoro-cyclobutanHEXAFLUORO-1,2-DICHLOROCYCLOBUTANE1,2-Dichlorohexafluorocyclobutane97%1,2-Dichlorohexafluorocyclobutane (FC-C-316)

MFCD00019259DTXSID108705142,3-dichloro-1,1,2,3,4,4-hexafluorocyclobutaneCHEMBL446843SCHEMBL1637525SBB098013AKOS007930314BS-22660

Database identifiers

CAS: 356-18-3
PubChem CID: 9643
DTXSID: DTXSID10870514
ChEMBL: CHEMBL446843
EC Number: 206-599-7
Nikkaji: J48.588H

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 206

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Halogenated Cyclic Hydrocarbons

PFAS · 3 items

PFAS -> Cyclic PFAS

PFAS -> Other/unspecified

PFAS -> non-polymer

Physical DescriptionLiquid; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point: -15 °C · -15 °C
Boiling point: 59 °C · 59 °C
Density: 1.644 · 1.644
refractive index: 1.333 · 1.333
Flash point: 59 · 59-60°C
form: liquid
Specific Gravity: 1.644 · 1.644
color: clear
BRN: 1909267 · 1909267
Dielectric constant: 2.46 · 2.46
CAS DataBase Reference: 356 · 356-18-3(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
EPA Substance Registry System: 1 · Cyclobutane, 1,2-dichloro-1,2,3,3,4,4-hexafluoro- (356-18-3)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H315-H319-H332-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Hazard Codes: Xi
Safety Statements: 23 · 23-24/25
RTECS: 1760000 · GU1760000
HazardClass: IRRITANT
HS Code: 2903898090 · 2903898090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazards Summary · 1 item

Causes convulsions and other changes in lungs, thorax, or respiration in inhalation lethal-concentration studies of mice; [RTECS] An irritant; [Sigma-Aldrich MSDS] See Perfluoropropane, Octafluorocyclobutane, and 2,2,3-Trichloroheptafluorobutane.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Toxicology

Toxicity DataLCLo (mouse) = 210,000 ppm/30s

Safety data

rtecs: GU1760000
hs_code: 2903898090
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 23-24/25
hazard_class: IRRITANT
Hazard statements: H302-H312-H315-H319-H332-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 1 item

Agents capable of inducing a total or partial loss of sensation, especially tactile sensation and pain. They may act to induce general ANESTHESIA, in which an unconscious state is achieved, or may act locally to induce numbness or lack of sensation at a targeted site.