Carbendazim

The CAS registry number of Carbendazim is 10605-21-7. The IUPAC name is methyl N-(1H-benzimidazol-2-yl)carbamate. In addition, the molecular formula is C₉H₉N₃O₂. What's more, it is a widely used broad-spectrum benzimidazole fungicide. It can be used as microbicides for barley, fruits and vegetables.

Physical properties about this chemical are: (1)ACD/LogP: 1.52; (2)ACD/LogD (pH 5.5): 0.76; (3)ACD/LogD (pH 7.4): 1.49; (4)ACD/BCF (pH 5.5): 1.46; (5)ACD/BCF (pH 7.4): 7.93; (6)ACD/KOC (pH 5.5): 27.74; (7)ACD/KOC (pH 7.4): 150.69; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 47.36 Å²; (12)Index of Refraction: 1.711; (13)Molar Refractivity: 52.63 cm³; (14)Molar Volume: 134.5 cm³; (15)Polarizability: 20.86 ×10^-24cm³; (16)Surface Tension: 69.3 dyne/cm; (17)Density: 1.421 g/cm³.

Preparation of Carbendazim: it can be prepared by o-benzenediamine and cyanogen methyl carbamate. The cyanogen methyl carbamate can be obtained by methyl chloroformate and cyanamide.

When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable. It is very toxic to aquatic organisms, which may cause long-term adverse effects in the aquatic environment and may cause heritable genetic damage. And it is toxic by inhalation, in contact with skin and if swallowed. Moreover, it may impair fertility and may cause harm to the unborn child. You should avoid exposure - obtain special instruction before use. During using it, wear suitable protective clothing and gloves. And in case of accident or if you feel unwell, seek medical advice immediately (show label where possible). What's more, this material and/or its container must be disposed of as hazardous waste. You avoid release to the environment and you can refer to special instructions safety data sheet.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)Nc2nc1ccccc1n2
(2)InChI: InChI=1/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)
(3)InChIKey: TWFZGCMQGLPBSX-UHFFFAOYAS

The toxicity data is as follows: