3-(2,2-Dibromovinyl)-2,2-dimethylcyclopropane-1-carboxylic acid

HCID 181248CAS 59952-39-5

기본 정보

표준 SMILES: CC1(C)C(C=C(Br)Br)C1C(=O)O
InChIKey: MDIQXIJPQWLFSD-UHFFFAOYSA-N
분자식: C8H10Br2O2
평균 분자량: 297.97 g/mol
단동위원소 질량: 295.90475

이름 및 식별자

우선 이름: 3-(2,2-Dibromovinyl)-2,2-dimethylcyclopropane-1-carboxylic acid
IUPAC: 3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
영어명: 3-(2,2-Dibromovinyl)-2,2-dimethyl cyclopropanecarboxylic Acid
분자식: C8H10Br2O2
분자량: 297.97

이름 및 동의어

3-(2,2-dibromovinyl)-2,2-dimethylcyclopropane-1-carboxylic acidDBCA acidDDPC acidRefChem:39356959952-39-53-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarboxylic acid1S-cis-Decamethrinic Acid72691-18-0C8H10Br2O2cis-Dibromocypermethric acidDeltamethrin Impurity 1 (Mixture of Diastereomers)

이름 더 보기

DeltamethrinImpurity1(±)-Decamethrinic acid2,2-Dimethyl-3-(2,2-dibromovinyl)cyclopropanecarboxylic acid3-(2,2-Dibromovinyl)-2,2-dimethyl cyclopropanecarboxylic Acid

SCHEMBL3380031(1R-cis)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane carboxylic acidDTXSID10975376MDIQXIJPQWLFSD-UHFFFAOYSA-N3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylic acidCyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-DB-164653NS00116137

데이터베이스 식별자

CAS: 59952-39-5
PubChem CID: 181248
DTXSID: DTXSID10975376
Nikkaji: J483.353H

물성

구조 계산 물성

XLogP: 3.4
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

끓는 점: 326.4 · 326.4±32.0 °C(Predicted)
밀도: 1.993 · 1.993±0.06 g/cm3(Predicted)
산도 계수 (pKa): 4.09 · 4.09±0.33(Predicted)

화학 및 산업

약리 정보

Metabolism/Metabolites3-(2,2-Dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid has known human metabolites that include (2S,3S,4S,5R)-6-[3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.