CAS No.335-08-0,1,1,1-TRIFLUOROACETONE CYANOHYDRIN Suppliers

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Basic Information

Molecular Structure:
CAS No.:	335-08-0
Name:	1,1,1-TRIFLUOROACETONE CYANOHYDRIN
Article Data:	9

Formula:	C₄H₄F₃NO
Molecular Weight:	139.08
Synonyms:	Lactonitrile,3,3,3-trifluoro-2-methyl- (7CI,8CI);1,1,1-Trifluoroacetone cyanohydrin;2-Trifluoromethyl-2-hydroxypropionitrile;NSC 120436;3,3,3-Trifluoro-2-hydroxy-2-methylpropanenitrile;2-(Trifluoromethyl)lactonitrile;
EINECS:	-0
Density:	1.364 g/cm³
Boiling Point:	190.5 °C at 760 mmHg
Flash Point:	69 °C
Solubility:	Fully miscible in water.
Hazard Symbols:	T,Xn
Risk Codes:	26/27/28-50/53-20/21/22
Safety:	7/9-27-45-60-61-36/37
PSA:	44.02000
LogP:	0.82328

Total:22 Page 1 of 1 1

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Specification

The Propanenitrile,3,3,3-trifluoro-2-hydroxy-2-methyl-, with the CAS registry number 335-08-0, is also known as 1,1,1-Trifluoroacetone cyanohydrin. This chemical's molecular formula is C₄H₄F₃NO and molecular weight is 139.08. What's more, its systematic name is 3,3,3-trifluoro-2-hydroxy-2-methylpropanenitrile.

Physical properties of Propanenitrile,3,3,3-trifluoro-2-hydroxy-2-methyl- are: (1)ACD/LogP: 1.71; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 33.02 Å²; (7)Index of Refraction: 1.359; (8)Molar Refractivity: 22.45 cm³; (9)Molar Volume: 101.8 cm³; (10)Polarizability: 8.9×10^-24cm³; (11)Surface Tension: 28.3 dyne/cm; (12)Density: 1.364 g/cm³; (13)Flash Point: 69 °C; (14)Enthalpy of Vaporization: 49.66 kJ/mol; (15)Boiling Point: 190.5 °C at 760 mmHg; (16)Vapour Pressure: 0.146 mmHg at 25°C.

Uses of Propanenitrile,3,3,3-trifluoro-2-hydroxy-2-methyl-: it can be used to produce α-acetoxy-β,β,β-trifluoro-isobutyronitrile at the temperature of 20 - 60 °C. It will need reagent pyridine with the reaction time of 18 hours. The yield is about 74%.

Propanenitrile,3,3,3-trifluoro-2-hydroxy-2-methyl- can be used to produce a-acetoxy-b,b,b-trifluoro-isobutyronitrile at the temperature of 20 - 60 °C

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It is very toxic by inhalation, in contact with skin and if swallowed. What's more, it is very toxic to aquatic organisms as it may cause long-term adverse effects in the aquatic environment. Hence, you should keep the container tightly closed and in a well-ventilated place. You must take off immediately all contaminated clothing. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible). This material and its container must be disposed of as hazardous waste. You should avoid releasing to the environment just refering to special instructions/safety data sheet. When using it, you need wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)C(C#N)(O)C
(2)InChI: InChI=1S/C4H4F3NO/c1-3(9,2-8)4(5,6)7/h9H,1H3
(3)InChIKey: XDCMNDCKYSQKAX-UHFFFAOYSA-N