CAS No.697-11-0,HEXAFLUOROCYCLOBUTENE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	697-11-0
Name:	HEXAFLUOROCYCLOBUTENE
Article Data:	45

Formula:	C₄F₆
Molecular Weight:	162.034
Synonyms:	Cyclobutene,hexafluoro- (6CI,7CI,8CI,9CI);1,2,3,3,4,4-Hexafluoro-1-cyclobutene;Hexafluorocyclobutene;Perfluorocyclobutene;
EINECS:	211-803-2
Density:	1.594 g/cm³
Melting Point:	-60 °C
Boiling Point:	6.456 °C at 760 mmHg
Flash Point:	-22.427 °C
Hazard Symbols:	T,F
Risk Codes:	23
Safety:	23-45
PSA:	0.00000
LogP:	2.42120

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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,