cis-3-(2-Chloro-3,3,3-trifluoropropenyl)-2,2-dimethylcyclopropanecarboxylic acid

HCID 54318404

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 72748-35-7
표준 SMILES: CC1(C)[C@H](C=C(Cl)C(F)(F)F)[C@@H]1C(=O)O
InChIKey: SPVZAYWHHVLPBN-INEUFUBQSA-N
분자식: C9H10ClF3O2
평균 분자량: 242.62 g/mol

이름 및 식별자

우선 이름: cis-3-(2-Chloro-3,3,3-trifluoropropenyl)-2,2-dimethylcyclopropanecarboxylic acid
IUPAC: trans-(1S,3S)-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylic acid
영어명: Lambda Cyhalotric Acid
분자식: C9H10ClF3O2
분자량: 242.62

이름 및 동의어

C9H10ClF3O2cis-3-(2-chloro-3,3,3-trifluoropropenyl)-2,2-dimethylcyclopropanecarboxylic acid72748-35-7Cyclopropanecarboxylic acid,3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, (1R,3R)-rel-SCHEMBL2353929MFCD32206560(+)-cis-3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylic acid(1S,3S)-3-(2-chloro-3,3,3-trifluoro-prop-1-enyl)-2,2-dimethyl-cyclopropanecarboxylic acidcis-2,2-dimethyl-3-(2'-chloro-3',3',3'-trifluoropropenyl)-cyclopropanecarboxylic acidCIS-3-(2-CHLORO-3,3,3-TRIFLUORO-1-PROPENYL)-2,2-DIMETHYLCYCLOPROPANECARBOXYLIC ACIDcis-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethyl-cyclopropanecarboxylic acid(1S,3S)-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylic acid

이름 더 보기

LAMBDA-CYHALOTHRIC ACIDBIFENTHRIN ACIDTrifluthrinBIFENTHRIN ACID METABOLITEλ-cyhalothric acidLambda Cyhalotric Acid(CYCLOPROPANECARBOXYLIC ACID, 3-(2-CHLORO-3,3,3-TRIFLUORO-1-PROPENYL)-2,2-DIMETHYLcis-3-(2-Chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-diMethylcyclopropanecarboxylic acidZ-(1RS)-cis-2

데이터베이스 식별자

CAS: 72748-35-7
PubChem CID: 54318404
EC Number: 615-798-1

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 320

물리화학적 성질

녹는점: 107 · 107-109°C
끓는 점: 271.6 · 271.6±40.0 °C(Predicted)
밀도: 1.152 · 1.152
저장 조건: 2 · Sealed in dry,2-8°C
용해도: 클로로포름(적게, 초음파 처리), DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 3.91 · 3.91±0.42(Predicted)
색상: 흰색에서 황백색까지
InChI: InChI=1/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/t4-,6-/s3
InChIKey: SPVZAYWHHVLPBN-BNFWCSRPNA-N
SMILES: [C@@H]1(C(O)=O)[C@H](C=C(Cl)C(F)(F)F)C1(C)C |&1:0,4,r|

화학적 성질

Z-(1R,S)-cis-2,2-dimethyl-3-(2,2-chloro-3,3,3-trifluoro-1-propenyl)cyclopropanecarboxylic acid is Off-White Solid

안전 및 규제

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H315

화학 및 산업

응용 분야

용도Z-(1R,S)-cis-2,2-dimethyl-3-(2,2-chloro-3,3,3-trifluoro-1-propenyl)cyclopropanecarboxylic acid used in the synthesis of cyhalothric pesticides and fungicides.