1-(2-AMINO-5-CHLOROBENZOYL)-1-METHYLHYDRAZINE

The Benzoicacid, 2-amino-5-chloro-, 1-methylhydrazide, with the CAS registry number 59169-70-9, is also known as 1-(2-Amino-5-chlorobenzoyl)-1-methylhydrazine. This chemical's molecular formula is C₈H₁₀ClN₃O and molecular weight is 199.64. What's more, its systematic name is 2-Amino-5-chloro-N-methylbenzohydrazide. The product should be sealed and stored cool and dry places. When using it, you need avoid contact with skin and eyes.

Physical properties of Benzoicacid, 2-amino-5-chloro-, 1-methylhydrazide are: (1)ACD/LogP: 1.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.57; (4)ACD/LogD (pH 7.4): 1.58; (5)ACD/BCF (pH 5.5): 9.22; (6)ACD/BCF (pH 7.4): 9.32; (7)ACD/KOC (pH 5.5): 170.16; (8)ACD/KOC (pH 7.4): 172; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.79 Å²; (13)Index of Refraction: 1.64; (14)Molar Refractivity: 52.66 cm³; (15)Molar Volume: 146.1 cm³; (16)Polarizability: 20.87×10^-24 cm³; (17)Surface Tension: 61.3 dyne/cm; (18)Density: 1.366 g/cm³; (19)Flash Point: 186.6 °C; (20)Enthalpy of Vaporization: 63.36 kJ/mol; (21)Boiling Point: 384.9 °C at 760 mmHg; (22)Vapour Pressure: 3.97E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by 6-chloro-1H-benzo[d][1,3]oxazine-2,4-dione and 1H-benzo[d][1,3]oxazine-2,4-dione. This reaction will need solvent ethanol with the reaction time of 4 hours. The yield is about 66%.

Uses of Benzoicacid, 2-amino-5-chloro-, 1-methylhydrazide: it can be used to produce 4-[N'-(2-amino-5-chlorobenzoyl)-N'-methylhydrazino]-3-methyl-4-penten-2-one. After the reaction time of 5 hours, the yield is about 66%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN(C(=O)C1=C(C=CC(=C1)Cl)N)N
(2)InChI: InChI=1S/C8H10ClN3O/c1-12(11)8(13)6-4-5(9)2-3-7(6)10/h2-4H,10-11H2,1H3
(3)InChIKey: XWQSAOBUBKQAII-UHFFFAOYSA-N