HuagongsheHuagongshe Chemistry Print Report · For research reference only
N-((6-Chloro-3-pyridinyl)methyl)-N'-cyano-N-methylethanimidamide
Assail · MORTAL · MOSPILAN · MOSPILDATE · acetamipri · ACETAMIPRIISS · ACETAMIPRID 95%TC · (E/Z)-Acetamiprid
Identifiers & Physical Properties
| CAS No. | 135410-20-7 |
|---|---|
| Molecular formula | C10H11ClN4 |
| Average molar mass | 222.67 g/mol |
| Monoisotopic mass | 222.06722403 g/mol |
| SMILES | CC(=NC#N)N(C)Cc1ccc(Cl)nc1 |
| InChIKey | WCXDHFDTOYPNIE-UHFFFAOYSA-N |
| PubChem CID | 213021 |
| ChEMBL | CHEMBL3185634 |
| ChEBI | CHEBI:39163 |
| EC No. | 682-791-8 |
| DTXSID | DTXSID901015148 |
Chemical & Physical Properties
| XLogP | 1.4 |
|---|---|
| Topological polar surface area | 52.3 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 3 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 280 |
| Pesticides | PesticidesInsecticidesEnvironmental transformation -> Pesticides (parent, predecessor) |
| LogP (partition coefficient) | 0.8 |
| Collision Cross Section | 155.1 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: APCI+Dataset: TOXCASTSource Identifier: DTXSID0034300]150.24 Ų [M+H]+ [CCS Type: TW]157.86 Ų [M+Na]+ |
| Melting point | 100-102°C |
| Boiling point | 352.380±52.00 °C(Press: 760.00 Torr)(predicted) |
| Density | 1.174±0.14 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| Storage conditions | 2-8°C |
| pKa (acidity coefficient) | -0.440±0.10(predicted) |
| Major applications | agricultureenvironmental |
| 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/b14-8+ |
| InChIKey | WCXDHFDTOYPNIE-RIYZIHGNSA-N |
| SMILES | C(/N(CC1=CC=C(Cl)N=C1)C)(=N\C#N)\C |
| LogP (partition coefficient) | 0.620 (est) |
| CAS DataBase Reference | 160430-64-8(CAS DataBase Reference) |
| FDA UNII | 5HL5N372P0 |
| NIST Chemistry Reference | Acetamiprid(160430-64-8) |
| UNSPSC Code | 41116107 |
| NACRES | NA.24 |
| GHS pictogram | GHS06,GHS09 |
| Signal word | Danger |
| GHS hazard statements | H301-H410 |
| GHS precautionary statements | P264-P270-P273-P301+P310-P391-P405 |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges |
| Hazard symbols | T |
| Risk statements (R) | 23/25-57 |
| Safety statements (S) | 45 |
| UN transport number | UN 2811 |
| Water hazard class (WGK) | 3 |
| RTECS number | KJ4235200 |
| Storage class | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Hazard class | Acute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Repr. 2 |
| Toxicity | LD50 in male, female rats, male, female mice (mg/kg): 217, 146, 198, 184 orally (Takahashi) |
Safety & Regulations
| GHS classification | DangerH301: Toxic if swallowed [Danger Acute toxicity, oral]P203, P264, P270, P273, P280, P301+P316, P318, P321, P330, P391, P405, and P501 (click each P-code to see the statement)H301 (97.4%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P264, P270, P271, P273, P284, P301+P316, P304+P340, P316, P320, P321, P330, P403+P233, P405, and P501 (click each P-code to see the statement) |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (97.4%)Acute toxicity (Oral) - Category 3Repr. 2 |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges |
| Water hazard class (WGK) | 3 |
| RTECS number | KJ4235200 |
| UN transport number | UN 2811 |
| Toxicity | LD50 in male, female rats, male, female mice (mg/kg): 217, 146, 198, 184 orally (Takahashi) |
| Risk statements (R) | 23/25-57 |
| Signal word | Danger |
| GHS pictogram | GHS06,GHS09 |
| Hazard symbols | T |
| Safety statements (S) | 45 |
| Storage class | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| GHS hazard statements | H301-H410 |
| Hazard class | Acute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Repr. 2 |
| GHS precautionary statements | P264-P270-P273-P301+P310-P391-P405 |
Applications & Uses
Uses
Insecticide.