The 1-chloro-3,3,3-trifluoropropene, with the CAS registry number 2730-43-0, has the systematic name of 1-chloro-3,3,3-trifluoroprop-1-ene. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C3H2ClF3.
The characteristics of 1-chloro-3,3,3-trifluoropropene are as followings: (1)ACD/LogP: 2.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.62; (4)ACD/LogD (pH 7.4): 2.62; (5)ACD/BCF (pH 5.5): 58.16; (6)ACD/BCF (pH 7.4): 58.16; (7)ACD/KOC (pH 5.5): 637.84; (8)ACD/KOC (pH 7.4): 637.84; (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: 1.348; (14)Molar Refractivity: 21.31 cm3; (15)Molar Volume: 99.4 cm3; (16)Polarizability: 8.44×10-24cm3; (17)Surface Tension: 16.6 dyne/cm; (18)Density: 1.312 g/cm3; (19)Enthalpy of Vaporization: 25.64 kJ/mol; (20)Boiling Point: 20.8 °C at 760 mmHg; (21)Vapour Pressure: 882 mmHg at 25°C.
It is a kind of irritant chemical. Therefore, you should be cautious while dealing with this chemical: Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer), and if in case of insufficient ventilation, wear suitable respiratory equipment.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cl[C@H]=CC(F)(F)F
(2)InChI: InChI=1/C3H2ClF3/c4-2-1-3(5,6)7/h1-2H/b2-1+
(3)InChIKey: LDTMPQQAWUMPKS-OWOJBTEDBP
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