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Cyclobutene,1,2,3,3,4,4-hexafluoro-

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Name

Cyclobutene,1,2,3,3,4,4-hexafluoro-

EINECS 211-803-2
CAS No. 697-11-0 Density 1.594 g/cm3
PSA 0.00000 LogP 2.42120
Solubility N/A Melting Point -60 °C
Formula C4F6 Boiling Point 6.456 °C at 760 mmHg
Molecular Weight 162.034 Flash Point -22.427 °C
Transport Information N/A Appearance N/A
Safety 23-45 Risk Codes 23
Molecular Structure Molecular Structure of 697-11-0 (HEXAFLUOROCYCLOBUTENE) Hazard Symbols ToxicT,FlammableF
Synonyms

Cyclobutene,hexafluoro- (6CI,7CI,8CI,9CI);1,2,3,3,4,4-Hexafluoro-1-cyclobutene;Hexafluorocyclobutene;Perfluorocyclobutene;

Article Data 45

Cyclobutene,1,2,3,3,4,4-hexafluoro- Specification

The Cyclobutene,1,2,3,3,4,4-hexafluoro-, with the CAS registry number 697-11-0, is also known as Hexafluorocyclobutene. It belongs to the classification code of Drug / Therapeutic Agent. Its EINECS registry number is 211-803-2. This chemical's molecular formula is C4F6 and molecular weight is 162.03. What's more, its IUPAC name is called 1,2,3,3,4,4-Hexafluorocyclobutene.

Physical properties about Cyclobutene,1,2,3,3,4,4-hexafluoro- are: (1)ACD/LogP: 1.625; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.63; (4)ACD/LogD (pH 7.4): 1.63; (5)ACD/BCF (pH 5.5): 10.12; (6)ACD/BCF (pH 7.4): 10.12; (7)ACD/KOC (pH 5.5): 182.44; (8)ACD/KOC (pH 7.4): 182.44; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.295; (14)Molar Refractivity: 18.701 cm3; (15)Molar Volume: 101.663 cm3; (16)Polarizability: 7.414×10-24cm3; (17)Surface Tension: 11.72 dyne/cm; (18)Density: 1.594 g/cm3; (19)Flash Point: -22.427 °C; (20)Enthalpy of Vaporization: 24.443 kJ/mol; (21)Boiling Point: 6.456 °C at 760 mmHg; (22)Vapour Pressure: 1453.154 mmHg at 25 °C.

Preparation of Cyclobutene,1,2,3,3,4,4-hexafluoro-: this chemical can be prepared by 1,1,2,3,4,4-hexafluoro-buta-1,3-diene. This reaction temperature is 300 °C and reaction time is 64 hours. The yield is 47 %.

Cyclobutene,1,2,3,3,4,4-hexafluoro- can be prepared by 1,1,2,3,4,4-hexafluoro-buta-1,3-diene.

Uses of Cyclobutene,1,2,3,3,4,4-hexafluoro-: it is used to produce other chemicals. For example, it can react with diazomethane to get 1,5,6,6,7,7-hexafluoro-2,3-diaza-bicyclo[3.2.0]hept-3-ene. This reaction needs ambient temperature. The reaction time is 14 days. The yield is 55 %.

Cyclobutene,1,2,3,3,4,4-hexafluoro- can react with diazomethane to get 1,5,6,6,7,7-hexafluoro-2,3-diaza-bicyclo[3.2.0]hept-3-ene.

When you are dealing with this chemical, you should be very careful. This chemical may catch fire in contact with air, only need brief contact with an ignition source and have a very low flash point or evolve highly flammable gases in contact with water. It may cause damage to healthat low levels and it is toxic by inhalation. Therefore, you can not breathe the gas/fumes/vapour/spray. In case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1) SMILES: F/C1=C(\F)C(F)(F)C1(F)F
(2) InChI: InChI=1S/C4F6/c5-1-2(6)4(9,10)3(1,7)8
(3) InChIKey: QVHWOZCZUNPZPW-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LCLo inhalation 50000ppm (50000ppm) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Anaesthesia. Vol. 16, Pg. 3, 1961.
rat LCLo inhalation 62500ppb/4H (62.5ppm) LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION

SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE
National Technical Information Service. Vol. OTS0543752,

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