2-Propenenitrile,2-(trifluoromethyl)- supplier

Name
2-TRIFLUOROMETHYL ACRYLONITRILE
EINECS
CAS No. 381-84-0
Article Data5
CAS DataBase
Density 1.219 g/cm³
Solubility
Melting Point
Formula C₄H₂F₃N
Boiling Point 118.9 °C at 760 mmHg
Molecular Weight 121.062
Flash Point 25.7 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 20/21/22-36/37/38
Molecular Structure
Hazard Symbols Xi,C
Synonyms Acrylonitrile,2-(trifluoromethyl)- (6CI,7CI,8CI);2-(Trifluoromethyl)acrylonitrile;NSC221184;2-(Trifluoromethyl)prop-2-enenitrile;2-Cyano-3,3,3-trifluoropropene;
PSA 23.79000
LogP 1.62848

2-Propenenitrile,2-(trifluoromethyl)- Specification

The 2-Propenenitrile,2-(trifluoromethyl)-, with the CAS registry number 381-84-0, is also known as 2-Trifluoromethyl acrylonitrile. This chemical's molecular formula is C₄H₂F₃N and molecular weight is 121.06. What's more, its systematic name is 2-(Trifluoromethyl)prop-2-enenitrile.

Physical properties of 2-Propenenitrile,2-(trifluoromethyl)- are: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.05; (4)ACD/LogD (pH 7.4): 2.05; (5)ACD/BCF (pH 5.5): 21.43; (6)ACD/BCF (pH 7.4): 21.43; (7)ACD/KOC (pH 5.5): 312.2; (8)ACD/KOC (pH 7.4): 312.2; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 23.79 Å²; (13)Index of Refraction: 1.334; (14)Molar Refractivity: 20.51 cm³; (15)Molar Volume: 99.2 cm³; (16)Polarizability: 8.13×10^-24cm³; (17)Surface Tension: 19.4 dyne/cm; (18)Density: 1.219 g/cm³; (19)Flash Point: 25.7 °C; (20)Enthalpy of Vaporization: 35.71 kJ/mol; (21)Boiling Point: 118.9 °C at 760 mmHg; (22)Vapour Pressure: 16.3 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed and it is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C=C(C#N)C(F)(F)F
(2)InChI: InChI=1S/C4H2F3N/c1-3(2-8)4(5,6)7/h1H2
(3)InChIKey: XHOYJCHWYPGFNS-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	32 mg/kg (32 mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02234.

Product Name

2-TRIFLUOROMETHYL ACRYLONITRILE

2-Propenenitrile,2-(trifluoromethyl)- Specification

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