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CAS No.: | 370-86-5 |
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Name: | FCCP |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C10H5F3N4O |
Molecular Weight: | 254.171 |
Synonyms: | Mesoxalonitrile,[p-(trifluoromethoxy)phenyl]hydrazone (7CI,8CI);Propanedinitrile, [[4-(trifluoromethoxy)phenyl]hydrazono]-(9CI);Carbonyl cyanide [4-(trifluoromethoxy)phenyl]hydrazone;Carbonyl cyanide[p-(trifluoromethoxy)phenyl]hydrazone;FCCCP;FCCP;Trifluoromethoxycarbonylcyanide phenylhydrazone;{2-[4-(trifluoromethoxy)phenyl]hydrazinylidene}propanedinitrile;2-[[4-(trifluoromethoxy)phenyl]hydrazinylidene]propanedinitrile;2-{2-[4-(trifluoromethoxy)phenyl]hydrazono}malononitrile; |
EINECS: | 206-730-8 |
Density: | 1.34 g/cm3 |
Melting Point: | 174-175 °C (dec.)(lit.) |
Boiling Point: | 293.3 °C at 760 mmHg |
Flash Point: | 131.2 °C |
Solubility: | acetone: 20 mg/mL, clear, very deep greenish yellow |
Appearance: | yellow solid |
Hazard Symbols: | T; Xi |
Risk Codes: | 25-43 |
Safety: | 36/37-45 |
Transport Information: | UN 2811 6 |
PSA: | 81.20000 |
LogP: | 2.47326 |
The Propanedinitrile,2-[2-[4-(trifluoromethoxy)phenyl]hydrazinylidene]-, with the CAS registry number 370-86-5 and EINECS registry number 206-730-8, has the IUPAC name of 2-[[4-(trifluoromethoxy)phenyl]hydrazinylidene]propanedinitrile. It belongs to the product categories: Caspases/Apoptosis; Signalling. And the molecular formula of the chemical is C10H5F3N4O.
The characteristics of Propanedinitrile,2-[2-[4-(trifluoromethoxy)phenyl]hydrazinylidene]- are as followings: (1)ACD/LogP: 3.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.52; (4)ACD/LogD (pH 7.4): 2.3; (5)ACD/BCF (pH 5.5): 260.07; (6)ACD/BCF (pH 7.4): 15.52; (7)ACD/KOC (pH 5.5): 1712.71; (8)ACD/KOC (pH 7.4): 102.19; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 72.41 Å2; (13)Index of Refraction: 1.522; (14)Molar Refractivity: 57.55 cm3; (15)Molar Volume: 188.6 cm3; (16)Polarizability: 22.81×10-24cm3; (17)Surface Tension: 39.8 dyne/cm; (18)Density: 1.34 g/cm3; (19)Flash Point: 131.2 °C; (20)Enthalpy of Vaporization: 53.28 kJ/mol; (21)Boiling Point: 293.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00174 mmHg at 25°C.
You should be cautious while dealing with this chemical. It is toxic by inhalation, and may cause sensitization by skin contact. Therefore, you had better take the following instructions: Wear suitable protective clothing and gloves, and if in case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(F)Oc1ccc(cc1)N/N=C(\C#N)C#N
(2)InChI: InChI=1/C10H5F3N4O/c11-10(12,13)18-9-3-1-7(2-4-9)16-17-8(5-14)6-15/h1-4,16H
(3)InChIKey: BMZRVOVNUMQTIN-UHFFFAOYAT
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
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mouse | LD50 | intraperitoneal | 8mg/kg (8mg/kg) | Biochemical Pharmacology. Vol. 18, Pg. 1389, 1969. |