Cyazofamid
Properties
- Molecular formula
- C13H13ClN4O2S
- Molar mass
- 324.78 g/mol
- Exact mass
- 324.0448 Da
- Density
- 1.446 g/mL (at 20 °C)
- Melting point
- 152.7 °C
- logP
- 2.04Crippen estimate
- Polar surface area
- 79.0 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 3
Hazards
Warning
- H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
- H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI, index 616-166-00-8), via PubChem.
Precautionary statements
P273, P391, P501
Identifiers
CAS number
120116-88-3SMILES
Cc1ccc(-c2c(Cl)nc(C#N)n2S(=O)(=O)N(C)C)cc1InChIKey
YXKMMRDKEKCERS-UHFFFAOYSA-NInChI
InChI=1S/C13H13ClN4O2S/c1-9-4-6-10(7-5-9)12-13(14)16-11(8-15)18(12)21(19,20)17(2)3/h4-7H,1-3H3Characterization data
Calculated from the structure, in the form journals print them.
¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 7.62 (d, J = 7.7 Hz, 2H), 7.38 (d, J = 7.7 Hz, 2H), 2.68 (s, 6H), 2.35 (s, 3H).¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 138.5, 136.7, 135.2, 133.9, 129.6, 127.2, 123.3, 118.7, 35.4, 19.8.[M + H]+
[M + H]+ Calcd for C13H14ClN4O2S 325.0521[M + Na]+
[M + Na]+ Calcd for C13H13ClN4NaO2S 347.0340[M − H]−
[M − H]− Calcd for C13H12ClN4O2S 323.0375Elemental analysis
Anal. Calcd for C13H13ClN4O2S: C, 48.08; H, 4.03; N, 17.25; S, 9.87.Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
11 names
- 1H-Imidazole-1-sulfonamide, 4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-
- 4-Chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-1H-imidazole-1-sulfonamide
- (4-Chloro-2-cyano-N,N-dimethyl-5-p-tolylimidazole-1-sulfonamide)
- IKF 916
- Ranman
- Docious
- Mildicut
- Cyamidazosulfamid
- BAS 54500F
- Fendazosulam
- Ranman flowable
Work with Cyazofamid
Similar compounds
4′-Methyl[1,1′-biphenyl]-4-carbonitrile50670-50-335 % similar
4-Methylbenzonitrile104-85-832 % similar
2-Cyano-4'-methylbiphenyl114772-53-130 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.