-
Name
3-(TRIFLUOROMETHYL)BENZOIC ACID HYDRAZIDE
- EINECS
- CAS No. 22227-25-4
- Article Data20
- CAS DataBase
- Density 1.356 g/cm3
- Solubility
- Melting Point 111 °C
- Formula C8H7F3N2O
- Boiling Point
- Molecular Weight 204.152
- Flash Point
- Transport Information
- Appearance
- Safety 26-36/37/39
- Risk Codes 36/37/38
-
Molecular Structure
-
Hazard Symbols
Xi
- Synonyms 3-(Trifluoromethyl)benzene-1-carbohydrazide;
- PSA 55.12000
- LogP 2.40010
Benzoic acid,3-(trifluoromethyl)-, hydrazide Specification
The Benzoic acid,3-(trifluoromethyl)-, hydrazide, with the CAS registry number of 22227-25-4, is also known as 3-(Trifluoromethyl)benzene-1-carbohydrazide. It belongs to the product categories of Phenyls & Phenyl-Het; Phenyls & Phenyl-Het. This chemical's molecular formula is C8H7F3N2O and molecular weight is 204.15. What's more, its systematic name is 3-(Trifluoromethyl)benzohydrazide.
Physical properties about the Benzoic acid,3-(trifluoromethyl)-, hydrazide are: (1)ACD/LogP: 1.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.3; (4)ACD/LogD (pH 7.4): 1.3; (5)ACD/BCF (pH 5.5): 5.74; (6)ACD/BCF (pH 7.4): 5.75; (7)ACD/KOC (pH 5.5): 121.47; (8)ACD/KOC (pH 7.4): 121.74; (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)Surface Tension: 35.3 dyne/cm; (17)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. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c1cccc(C(=O)NN)c1
(2) InChI: InChI=1/C8H7F3N2O/c9-8(10,11)6-3-1-2-5(4-6)7(14)13-12/h1-4H,12H2,(H,13,14)
(3) InChIKey: HGUSYNBASYGAMC-UHFFFAOYAE
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