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135410-20-7 molecular structure
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N-[(6-chloropyridin-3-yl)methyl]-N'-cyano-N-methylethanimidamide

ChemBase ID: 125591
Molecular Formular: C10H11ClN4
Molecular Mass: 222.67414
Monoisotopic Mass: 222.06722405
SMILES and InChIs

SMILES:
Clc1ncc(cc1)CN(/C(=N/C#N)/C)C
Canonical SMILES:
N#C/N=C(/N(Cc1ccc(nc1)Cl)C)\C
InChI:
InChI=1S/C10H11ClN4/c1-8(14-7-12)15(2)6-9-3-4-10(11)13-5-9/h3-5H,6H2,1-2H3
InChIKey:
WCXDHFDTOYPNIE-UHFFFAOYSA-N

Cite this record

CBID:125591 http://www.chembase.cn/molecule-125591.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(6-chloropyridin-3-yl)methyl]-N'-cyano-N-methylethanimidamide
(E)-N-[(6-chloropyridin-3-yl)methyl]-N'-cyano-N-methylethenimidamide
IUPAC Traditional name
acetamiprid
Synonyms
(1E)-N-[(6-Chlor-3-pyridinyl)methyl]-N'-cyan-N-methylethanimidamid;
Acetamiprid
(1E)-N-[(6-chloro-3-pyridinyl)methyl]-N'-cyano-N-methylethanimidamide
ADA 06200
Assail
Intruder
Mospilan
NFK 17
NI 25
Piorun
Pristine
Prize
Stonkat
TD 2472
TD 2472-01
TD 2480
(E)-N-(6-Chloro-3-pyridylmethyl)-N′-cyano-N-methylacetamidine
Acetamiprid
(E)-N-[(6-氯-3-吡啶基)甲基]-N′-氰基-N-甲基乙脒
啶虫脒
CAS Number
135410-20-7
MDL Number
MFCD06201842
PubChem SID
162219941
PubChem CID
213021
CHEBI ID
39164
CHEMBL
265941
Chemspider ID
184719
KEGG ID
C18507
MeSH Name
acetamiprid
Wikipedia Title
Acetamiprid

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.094792  LogD (pH = 7.4) 1.1140888 
Log P 1.1143404  Molar Refractivity 60.8918 cm3
Polarizability 22.29389 Å3 Polar Surface Area 52.28 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
DMSO expand Show data source
Methanol expand Show data source
Apperance
Pale Yellow Solid expand Show data source
white powder expand Show data source
Melting Point
100-102 °C expand Show data source
96-98°C expand Show data source
98.9°C expand Show data source
Flash Point
166.9 °C expand Show data source
Density
1.17 g/cm3 expand Show data source
Storage Condition
Refrigerator, Under Inert Atmosphere expand Show data source
RTECS
KJ4235200 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
UN Number
2811 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
23/25-57 expand Show data source
Safety Statements
45 expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H330 expand Show data source
GHS Precautionary statements
P260-P284-P301 + P310-P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 2811 6.1/PG 2 expand Show data source
Grade
PESTANAL®, analytical standard expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C10H11ClN4 expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - 33674 external link
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH
Toronto Research Chemicals - A150800 external link
A novel neonicotinid insecticide against Holotrichia consanguinea in sugarcane. Reports show that when exposed to neonicotinid pesticides honeybees have probelms returnign home after foraging and bumblebee colonies grow poorly and produce fewer queens.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Srivastava, A., et al.: Indian Sugar, 32, 673 (1983)
  • • Fleming, R., et al.: J. Econ. Entomol., 78, 1179 (1983)
  • • Rao, Ch.V., et al.: Pestology, 35, 47 (1983)
  • • Chem. and Eng. News 90: 10 (2012)
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PATENTS

PATENTS

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INTERNET

INTERNET

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