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120116-88-3 molecular structure
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4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-1H-imidazole-1-sulfonamide

ChemBase ID: 156490
Molecular Formular: C13H13ClN4O2S
Molecular Mass: 324.78592
Monoisotopic Mass: 324.04477436
SMILES and InChIs

SMILES:
Cc1ccc(cc1)c1c(nc(n1S(=O)(=O)N(C)C)C#N)Cl
Canonical SMILES:
N#Cc1nc(c(n1S(=O)(=O)N(C)C)c1ccc(cc1)C)Cl
InChI:
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,1-3H3
InChIKey:
YXKMMRDKEKCERS-UHFFFAOYSA-N

Cite this record

CBID:156490 http://www.chembase.cn/molecule-156490.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-1H-imidazole-1-sulfonamide
IUPAC Traditional name
4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide
Synonyms
4-Chloro-1-(dimethylaminosulfonyl)-5-(p-tolyl)imidazole-2-carbonitrile
Cyazofamid solution
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
BAS 54500F
Cyamidazosulfamid
Docious
Fendazosulam
IKF 916
Mildicut
Ranman
Cyazofamid
4-chloro-2-cyano-n,n-dimethyl-5-(4-methylphenyl)-1h-imidazole-1-sulfonamide
Cyazofamid
4-氯-1-(二甲基氨基磺酰基)-5-(对甲苯基)咪唑-2-甲腈
氰霜唑 溶液
氰霜唑
CAS Number
120116-88-3
MDL Number
MFCD04112761
PubChem SID
162250628
24860573
24860569
PubChem CID
9862076

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 9862076 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.7994323  LogD (pH = 7.4) 1.7994323 
Log P 1.7994323  Molar Refractivity 81.572 cm3
Polarizability 32.65459 Å3 Polar Surface Area 78.99 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
39.2 °F expand Show data source
4 °C expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
1294 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
20/21/22 expand Show data source
63-11-38-48/20-52/53-65-67 expand Show data source
Safety Statements
16-36/37-61-62 expand Show data source
36 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
Warning expand Show data source
GHS Hazard statements
H225-H304-H315-H336-H361d-H373-H412 expand Show data source
H410 expand Show data source
GHS Precautionary statements
P210-P261-P273-P281-P301 + P310-P331 expand Show data source
P273-P501 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 1294 3/PG 2 expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
97% expand Show data source
Concentration
10 ng/μL in toluene expand Show data source
Grade
PESTANAL®, analytical standard expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C13H13ClN4O2S expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - 33878 external link
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH
Sigma Aldrich - 33874 external link
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH
Toronto Research Chemicals - C987600 external link
Cyazofamid is a imidazole fungicide for use on food crops.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Mitani, S., et al.: Pestic. Biochem. Physiol., 71, 107 (2001)
  • • Mitani, S., et al.: Agrochem. Jpn., 78, 17 (2001)
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PATENTS

PATENTS

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INTERNET

INTERNET

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