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| CAS No.: | 339-59-3 |
|---|---|
| Name: | 4-(TRIFLUOROMETHYL)BENZHYDRAZIDE |
| Molecular Structure: | |
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| Formula: | C8H7F3N2O |
| Molecular Weight: | 204.152 |
| Synonyms: | p-Toluicacid, a,a,a-trifluoro-, hydrazide (6CI,8CI);4-(Trifluoromethyl)benzohydrazide;4-(Trifluoromethyl)benzoic hydrazide;4-Trifluoromethylbenzhydrazide;4-Trifluoromethylbenzoic acid hydrazide;p-(Trifluoromethyl)benzoylhydrazine;p-Trifluoromethylbenzoic acid hydrazide;p-Trifluoromethylbenzoyl hydrazide;4-(Trifluoromethyl)benzhydrazide; |
| Density: | 1.357 g/cm3 |
| Melting Point: | 115-119 °C(lit.) |
| Boiling Point: | 470.6°C at 760 mmHg |
| Flash Point: | 238.4°C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 55.12000 |
| LogP: | 2.40010 |
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Specification
The Benzoic acid,4-(trifluoromethyl)-, hydrazide, with the CAS registry number 339-59-3, has the systematic name of 4-(trifluoromethyl)benzohydrazide. It belongs to the product category of Phenylhydrazine. And the molecular formula of the chemical is C9H7F3O2.
The characteristics of Benzoic acid,4-(trifluoromethyl)-, hydrazide are as followings: (1)ACD/LogP: 1.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.22; (4)ACD/LogD (pH 7.4): 1.22; (5)ACD/BCF (pH 5.5): 4.94; (6)ACD/BCF (pH 7.4): 4.95; (7)ACD/KOC (pH 5.5): 109.09; (8)ACD/KOC (pH 7.4): 109.31; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 23.55 Å2; (13)Index of Refraction: 1.493; (14)Molar Refractivity: 43.75 cm3; (15)Molar Volume: 150.4 cm3; (16)Polarizability: 17.34×10-24cm3; (17)Surface Tension: 35.3 dyne/cm; (18)Density: 1.356 g/cm3.
Uses of Benzoic acid,4-(trifluoromethyl)-, hydrazide: It can react with 2-diacetoxymethyl-5-nitro-furan to produce 5-nitrofurfurylidene 2-(4-trifluoromethylbenzhydrazide). This reaction will need reagent aq. H2SO4, AcOH, and the menstruum ethanol. And the yield is about 85%.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(F)c1ccc(C(=O)NN)cc1
(2)InChI: InChI=1/C8H7F3N2O/c9-8(10,11)6-3-1-5(2-4-6)7(14)13-12/h1-4H,12H2,(H,13,14)
(3)InChIKey: GKBDXTNCBPZMFX-UHFFFAOYAD