Cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropane carboxylic acid (HCID 41507)

概要

See also: 1R-cis-Permethrinic acid (annotation moved to).

名称と識別子

優先名称: Cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropane carboxylic acid
IUPAC: trans-(1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
英語名: cis-DL-3-(2,2-Dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid
分子式: C8H10Cl2O2
分子量: 209.07

名称と別名

cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropane carboxylic acidRefChem:58116659042-49-8cis-Permethric acid55701-08-1cis-3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid(1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid(1S,3S)-3-(2,2-Dichlorovinyl)-2,2-dimethylcyclopropane-1-carboxylic acid(+/-)-cis-Permethrinic acidcis-Permethrinic Acidcis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid(1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid

名称をさらに表示

CMA (high Trans)CYPERMETHRIC ACIDcis-Cypermethric acid(±)cis-permethemic acid(±)-cis-Permethric acid(±)-cis-Permethrinic AcidLLMLSUSAKZVFOA-INEUFUBQSA-NCis dichlorochrysanthemum acidPermethrin Impurity 9（cis-Permethric Acid）

MFCD098395101R-cis-Permethric acidCyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, cis-Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, (1R,3R)-rel-cis-DL-3-(2,2-Dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acidCyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, (1R,3R)-BRN 4392155Permethric acid, cis-

データベース識別子

CAS: 55667-40-8、55701-08-1、59042-49-8
PubChem CID: 41507
DTXSID: DTXSID401017856
UNII: 5974R66VUH、7A9F5R2DAQ
EC Number: 963-174-5
Nikkaji: J490.848A

物性

構造計算による物性

XLogP: 3.3
極性表面積: 37.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 12
形式電荷: 0
複雑度: 241

物理化学的性質

融点: 95 · 95-96℃
沸点: 291 ℃ · 291℃
比重(密度): 1.433 · 1.433
闪点: 130 ℃ · 130℃
溶解性: Chloroform (Slightly), Dichloromethane (Sparingly), Methanol (Slightly)
外見: Solid
酸解離定数(Pka): 4.66 · 4.66±0.42(Predicted)
色: White to Off-White
安定性: Light Sensitive
InChI: InChI=1/C8H10Cl2O2/c1-8(2)4(3-5(9)10)6(8)7(11)12/h3-4,6H,1-2H3,(H,11,12)/t4-,6-/s3
InChIKey: LLMLSUSAKZVFOA-BNFWCSRPNA-N
SMILES: [C@@H]1(C(O)=O)[C@H](/C=C(/Cl)\Cl)C1(C)C |&1:0,4,r|
EPAの化学物質情報: 3 · Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, (1R,3R)-rel- (59042-49-8)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

化学と産業

応用分野 · 1 件

使用rac-cis-Permethrinic acid is a potent insecticide used in the agricultural industry to eliminate unwanted pests from crops. rac-cis-Permethrinic acid is also metabolite of pyrethroid compounds, a group of pesticides that are relatively low toxicity (to organisms that are not intended to be targeted) and biodegradable.