Basic information
- Name:
Hydrazine,(3,5-difluorophenyl)-
- Superlist Name:
- 3,5-Difluorophenylhydrazine hydrochloride
- CAS No.:
134993-88-7
- Molecular Structure:
- Formula:
- C6H6F2N2.HCl
- Molecular Weight:
- 180.58
- Synonyms:
- (3,5-Difluorophenyl)hydrazine;3,5-Difluorophenylhydrazine hydrochloride;
- Melting Point:
- 261-266 °C
- Boiling Point:
- 197.9 °C at 760 mmHg
- Flash Point:
- 73.5 °C
- Appearance:
- white to yellow or orange crystalline powder
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 26-36 Details
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Specification
The systematic name of 3,5-Difluorophenylhydrazine hydrochloride is (3,5-difluorophenyl)diazanium chloride. With the CAS registry number 134993-88-7, it is also named as Hydrazine,(3,5-difluorophenyl)-. The product's categories are Hydrazine; Phenylhydrazine; API Intermediates; Hydrazines; Nitrogen Compounds; Organic Building Blocks. Besides, it is white to yellow or orange crystalline powder, which should be stored in tightly sealed container in a cool, dry place. And you should ensure that workplaces have good ventilated or exhaust devices. In addition, its molecular formula is C6H6F2N2.HCl and molecular weight is 180.58.
The other characteristics of 3,5-Difluorophenylhydrazine hydrochloride can be summarized as: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.16; (4)ACD/LogD (pH 7.4): 2.26; (5)ACD/BCF (pH 5.5): 24.2; (6)ACD/BCF (pH 7.4): 30.68; (7)ACD/KOC (pH 5.5): 317.97; (8)ACD/KOC (pH 7.4): 403.17; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å2; (13)Flash Point: 73.5 °C; (14)Melting Point: 261-266 °C; (15)Enthalpy of Vaporization: 43.41 kJ/mol; (16)Boiling Point: 197.9 °C at 760 mmHg; (17)Vapour Pressure: 0.37 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing.
People can use the following data to convert to the molecule structure.
(1)SMILES: [Cl-].Fc1cc(F)cc(N[NH3+])c1
(2)InChI: InChI=1/C6H6F2N2.ClH/c7-4-1-5(8)3-6(2-4)10-9;/h1-3,10H,9H2;1H
(3)InChIKey: CKCNKYAHVKNKHQ-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C6H6F2N2.ClH/c7-4-1-5(8)3-6(2-4)10-9;/h1-3,10H,9H2;1H
(5)Std. InChIKey: CKCNKYAHVKNKHQ-UHFFFAOYSA-N
