CAS No.339-59-3,4-(TRIFLUOROMETHYL)BENZHYDRAZIDE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	339-59-3
Name:	4-(TRIFLUOROMETHYL)BENZHYDRAZIDE
Article Data:	45

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