CAS 149961-52-4 Dimoxystrobin (HCID 10936292)

基本情報

CAS: 149961-52-4
標準SMILES: CNC(=O)/C(=N/OC)c1ccccc1COc1cc(C)ccc1C
InChIKey: WXUZAHCNPWONDH-DYTRJAOYSA-N
分子式: C19H22N2O3
平均分子量: 326.4 g/mol
単同位体質量: 326.16304257

名称と識別子

優先名称: Dimoxystrobin
IUPAC: (2E)-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide
現地名: ジモキシストロビン標準品
英語名: DIMOXYSTROBIN PESTANAL
分子式: C19H22N2O3
分子量: 326.39

名称と別名

Dimoxystrobin149961-52-4Dimoxystrobin [MI]BAS-505SSF-129UNII-27J9BR16KUdimoxystrobine27J9BR16KUDTXSID3057981CHEBI:83218(2E)-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamideBenzeneacetamide, 2-((2,5-dimethylphenoxy)methyl)-alpha-(methoxyimino)-N-methyl-

名称をさらに表示

ジモキシストロビン標準品ジモキシストロビンジモキシストロビン(100 UG/ML アセトニトリル溶液)dimoxystrolinPCB No 118 OEKANALDimoxystrobin solutionDIMOXYSTROBIN PESTANALC12775000 DimoxystrobinDimethomorph Impurity 6Kresoxim-methyl Impurity 5Dimoxystrobin in AcetonitrileDimoxystrobin 100 μg/ml AcetonitrileDimoxystrobin 10.0 μg/ml Ethyl acetate

(2E)-2-{2-[(2,5-dimethylphenoxy)methyl]phenyl}-2-(methoxyimino)-N-methylacetamideBenzeneacetamide, 2-((2,5-dimethylphenoxy)methyl)-alpha-(methoxyimino)-N-methyl-, (alphaE)-(alphaE)-2-[(2,5-dimethylphenoxy)methyl]-alpha-(methoxyimino)-N-methylbenzeneacetamide(E)-2-(methoxyimino)-N-methyl-2-[alpha-(2,5-xylyloxy)-o-tolyl]acetamideBENZENEACETAMIDE, 2-((2,5-DIMETHYLPHENOXY)METHYL)-.ALPHA.-(METHOXYIMINO)-N-METHYL-Benzeneacetamide, 2-[(2,5-dimethylphenoxy)methyl]-alpha-(methoxyimino)-N-methyl-, (alphaE)-BENZENEACETAMIDE, 2-((2,5-DIMETHYLPHENOXY)METHYL)-.ALPHA.-(METHOXYIMINO)-N-METHYL-, (.ALPHA.E)-(E)-2-(methoxyimino)-N-methyl-2-(alpha-(2,5-xylyloxy)-o-tolyl)acetamide

データベース識別子

CAS: 149961-52-4
PubChem CID: 10936292
DTXSID: DTXSID3057981
ChEMBL: CHEMBL2269453
ChEBI: CHEBI:83218
UNII: 27J9BR16KU
EC Number: 604-712-8
Nikkaji: J1.077.232J、J1.114.970G

物性

構造計算による物性

XLogP: 3.9
極性表面積: 59.9 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 6
重原子数: 24
形式電荷: 0
複雑度: 438

物理化学的性質

比重(密度): 1.09 · 1.09±0.1 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
溶解性: DMSO (Slightly), Methanol (Slightly)
酸解離定数(Pka): 11.29 · 11.29±0.46(Predicted)
BRN: 8430159 · 8430159
Henry's Law Constant: 2.2 · 2.2×107 mol/(m3Pa) at 25℃, Maniere et al. (2011)
主な用途: 農業環境
InChI: 1S/C19H22N2O3/c1-13-9-10-14(2)17(11-13)24-12-15-7-5-6-8-16(15)18(21-23-4)19(22)20-3/h5-11H,12H2,1-4H3,(H,20,22)/b21-18-
InChIKey: WXUZAHCNPWONDH-UZYVYHOESA-N
SMILES: CNC(=O)C(=N/OC)\c1ccccc1COc2cc(C)ccc2C
LogP: 5.08 · 5.080 (est)

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H332: Harmful if inhaled [Warning Acute toxicity, inhalation]；H351: Suspected of causing cancer [Warning Carcinogenicity]；H361d: Suspected of damaging the unborn child [Warning Reproductive toxicity]；H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P203, P261, P271, P273, P280, P304+P340, P317, P318, P391, P405, and P501 (click each P-code to see the statement)

Warning

危険有害性情報

Regulatory Information · 2 件

Council Directive (EEC) No 414/1991 (Repealed by Reg. EC No 1107/2009 (amended))

Dir 06/75/EC, Reg. (EU) 2018/1796, Reg. (EU) 2019/2094, Reg. (EU) 2021/2068, Reg. (EU) 2021/52, Reg. (EU) 2023/1436, Reg. (EU) No 1136/2013, Reg. (EU) No 2023/115, Reg. (EU) No 540/2011, Reg.(EU) 84/2018

Hazard Classes and Categories · 4 件

Acute Tox. 4 (100%)；Carc. 2 (79.9%)；Repr. 2 (63.5%)；Repr. 2 (16.4%)；Aquatic Acute 1 (100%)；Aquatic Chronic 1 (79.9%)

Carcinogenicity - category 2；Reproductive toxicity - category 2；Acute toxicity - category 4；Hazardous to the aquatic environment (acute) - category 1；Hazardous to the aquatic environment (chronic) - category 1

Acute toxicity (Inhalation: Dusts and mists) - Category 4；Carcinogenicity - Category 2；Reproductive toxicity - Category 2；Specific target organ toxicity - Single exposure - Category 2 (systemic)；Specific target organ toxicity - Repeated exposure - Category 2 (gastrointestinal tract)；Hazardous to the aquatic environment (Acute) - Category 1；Hazardous to the aquatic environment (Long-term) - Category 1

Carc. 2；Repr. 2；Acute Tox. 4；Aquatic Acute 1；Aquatic Chronic 1