Carbendazim-D4 supplier | CasNO.291765-95-2

Name
CARBENDAZIM D4
EINECS
CAS No. 291765-95-2
Article Data1
CAS DataBase
Density 1.451 g/cm³
Solubility
Melting Point >3000C (dec.)
Formula C₉H₅D₄N₃O₂
Boiling Point
Molecular Weight 195.21
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms CARBENDAZIM D4;CARBENDAZIM-D4 (BENZIMIDAZOLE-4,5,6,7-D4);CARBENDAZIM D4 (RING);Carbendazim-D4 (benzamidazole-4,5,6,7-D4);Methyl N-(4,5,6,7-D4-1H-1,3-benzimidazol-2-yl)carbamate;2-(BenziMidazole-d4)carbaMic Acid Methyl Ester;N-1H-(BenziMidazol-d4)-2-yl-carbaMic Acid Methyl Ester;Carbendazim-d4
PSA 67.01000
LogP 1.81420

Carbendazim-D4 Specification

The Carbendazim-D4, with cas registry number 291765-95-2, has the systematic name of methyl (4,5,6,7-2H4)-1H-benzimidazol-2-ylcarbamate. Besides this, it is also called carbamic acid, N-1H-benzimidazol-2-yl-4,5,6,7-d4-, methyl ester. And the chemical formula of this chemical is C₉H₅D₄N₃O₂.

Physical properties about this chemical are: (1)ACD/LogP: 1.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 8; (7)ACD/KOC (pH 5.5): 28; (8)ACD/KOC (pH 7.4): 151; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 67.01 Å²; (13)Index of Refraction: 1.711; (14)Molar Refractivity: 52.637 cm³; (15)Molar Volume: 134.541 cm³; (16)Polarizability: 20.867×10^-24cm³; (17)Surface Tension: 69.359 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: [2H]c2c1nc(nc1c([2H])c([2H])c2[2H])NC(=O)OC
(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)/i2D,3D,4D,5D
(3)InChIKey: TWFZGCMQGLPBSX-QFFDRWTDEC
(4)Std. InChI: InChI=1S/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)/i2D,3D,4D,5D
(5)Std. InChIKey: TWFZGCMQGLPBSX-QFFDRWTDSA-N

Product Name

CARBENDAZIM D4

Carbendazim-D4 Specification

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