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

HCID 41507

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 55667-40-8
표준 SMILES: CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)O
InChIKey: LLMLSUSAKZVFOA-INEUFUBQSA-N
분자식: C8H10Cl2O2
평균 분자량: 209.07 g/mol
단동위원소 질량: 208.00578492

개요

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

이름 및 식별자

우선 이름: Cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropane carboxylic acid
IUPAC: trans-(1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
영어명: cis-DL-3-(2,2-Dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid
분자식: C8H10Cl2O2
분자량: 209.07

이름 및 동의어

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

이름 더 보기

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-

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 241

물리화학적 성질

녹는점: 95 · 95-96℃
끓는 점: 291 ℃ · 291℃
밀도: 1.433 · 1.433
인화점: 130 ℃ · 130℃
용해도: 클로로포름 (약간 용해됨), 디클로로메탄 (난용성), 메탄올 (약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 4.66 · 4.66±0.42(Predicted)
색상: 흰색에서 황백색까지
안정성: 감광성
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: 3 · Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, (1R,3R)-rel- (59042-49-8)

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

화학 및 산업

응용 분야 · 1건

용도rac-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.