3-(2,2-디클로로비닐)-2,2-다이메틸사이클로프로판카복실산

Permethric acid

HCID 91658CAS 55701-05-8

기본 정보

표준 SMILES: CC1(C)C(C=C(Cl)Cl)C1C(=O)O
InChIKey: LLMLSUSAKZVFOA-UHFFFAOYSA-N
분자식: C8H10Cl2O2
평균 분자량: 209.07 g/mol
단동위원소 질량: 208.00578492

개요

3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid is an organochlorine compound. It is functionally related to a cyclopropanecarboxylic acid.

이름 및 식별자

우선 이름: Permethric acid
IUPAC: 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
현지명: 3-(2,2-디클로로비닐)-2,2-다이메틸사이클로프로판카복실산
영어명: Permethric acid
분자식: C8H10Cl2O2
분자량: 209.07

이름 및 동의어

55701-05-83-(2,2-Dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acidPermethric acidCHEBI:393083-(2,2-Dichlorovinyl)-2,2-dimethylcyclopropane carboxylic acidCDCCA compoundTDCCA compoundCL2CARefChem:92104259-768-23-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid

이름 더 보기

3-(2,2-디클로로비닐)-2,2-다이메틸사이클로프로판카복실산3-(2,2-디클로로비닐)-2,2-다이메틸사이클로프로판카복실산(3-(2,2-DICHLOROVINYL)-2,2...Permethrinic acidST005514trans-dcvaPermethrin acid3-(2,2-dichloroeDCVC Acid (Permethrin EP Impurity F)Permethrinic Acid (cis/trans mixture)Permethrinic acid 10 μg/mL in Methanol

55701-03-6Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-MFCD001379373-(2,2-dichlorovinyl)-2,2-dimethylcyclopropane-1-carboxylic acid3-(2,2-dichlorovinyl)-2,2-dimethyl-cyclopropanecarboxylic acidPermethrinic Acid(cis/trans mixture)1R-cis-Permethric acidEINECS 259-768-2

데이터베이스 식별자

CAS: 55701-05-8
PubChem CID: 91658
DTXSID: DTXSID5028039
ChEMBL: CHEMBL5307087
ChEBI: CHEBI:39308
EC Number: 259-768-2
Nikkaji: J34.937B

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

실험 및 물리화학적 성질

PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

물리화학적 성질

녹는점: 58.33 °C · 58.33 °C
끓는 점: 92 · 92-94.5 °C
밀도: 1.433 · 1.433±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 4.09 · 4.09±0.33(Predicted)
색상: 흰색에서 연한 노란색
Henry's Law Constant: 1.9 · 1.9×101 mol/(m3Pa) at 25℃, Zhang et al. (2010)
EPA: 3 · 3-(2,2-Dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid (55701-05-8)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 69 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

tsca: TSCA listed
기존화학 물질: KE-11334

화학 및 산업

용도 및 제조

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

General Manufacturing InformationCyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-: ACTIVE

응용 분야

용도3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic Acid is a reagent used in the preparation of hapten and immunogen for the production of polyclonal antibodies, specific to Cypermethrin (C989000).