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| CAS No.: | 344-95-6 |
|---|---|
| Name: | 2-(TRIFLUOROMETHYL)BENZOIC ACID HYDRAZIDE |
| Article Data: | 9 |
| Molecular Structure: | |
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|
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| Formula: | C8H7F3N2O |
| Molecular Weight: | 204.152 |
| Synonyms: | 2-(Trifluoromethyl)benzoic hydrazide;2-Trifluoromethylbenzhydrazide; |
| Density: | 1.356 g/cm3 |
| Melting Point: | 132 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 55.12000 |
| LogP: | 2.40010 |
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Specification
The Benzoic acid, 2-(trifluoromethyl)-, hydrazide, with the CAS registry number 344-95-6, is also known as 2-(Trifluoromethyl)benzoic acid hydrazide. This chemical's molecular formula is C8H7F3N2O and molecular weight is 204.15. What's more, its IUPAC name is 2-(Trifluoromethyl)benzohydrazide.
Physical properties about Benzoic acid, 2-(trifluoromethyl)-, hydrazide are: (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): 4.96; (6)ACD/BCF (pH 7.4): 4.96; (7)ACD/KOC (pH 5.5): 109.47; (8)ACD/KOC (pH 7.4): 109.59; (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: 17.34×10-24 cm3; (17)Surface Tension: 35.3 dyne/cm; (18)Density: 1.356 g/cm3.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, you should wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c1ccccc1C(=O)NN
(2) InChI: InChI=1/C8H7F3N2O/c9-8(10,11)6-4-2-1-3-5(6)7(14)13-12/h1-4H,12H2,(H,13,14)
(3) InChIKey: NTWTYYSQPAYEAE-UHFFFAOYAL