기본 정보
- 표준 SMILES
CC1(C)C(C=C(Cl)Cl)C1C(=O)Cl- InChIKey
CHLAOFANYRDCPD-UHFFFAOYSA-N- 분자식
- C8H9Cl3O
- 평균 분자량
- 227.5 g/mol
- 단동위원소 질량
- 225.97189795
이름 및 식별자
- 우선 이름
- Permethric chloride
- IUPAC
- 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride
- 영어명
- 3-(2,2-Dichlorovinyl)-2,2-dimethylcyclopropanecarbonyl chloride
- 분자식
- C8H9Cl3O
- 분자량
- 227.52
이름 및 동의어
52314-67-73-(2,2-Dichlorovinyl)-2,2-dimethylcyclopropanecarbonyl chloridePermethric chlorideCyclopropanecarbonyl chloride, 3-(2,2-dichloroethenyl)-2,2-dimethyl-EINECS 257-840-8DTXSID10280273-(2,2-Dichloroethenyl)-2,2-dmethylcyclopropanecarbonyl chloride7433EG1ZY92,2-dimethyl-3-(2,2-dichlorovinyl)cyclopropanecarbonyl chloride3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl chloride2,2-Dimethyl-3-(2,2-dichloroethenyl)cyclopropanecarbonyl chlorideJ94.794F
이름 더 보기
DV Chrysanoyl chlorideDVDCCypermethricacidchlorideCYPHERMETHRIC ACID CHLORIDEDichlorochrysanoyl chloride3-(2,2-dichlorovinyl)-2 (DVDC)2-dimethylcyclopropanecarbonyl chloridePESTICIDE INTERMEDIATE- DV ACID CHLORIDE2-(2,2-Dichlorovinyl)-3,3-dimethylcyclopropanecarbonyl chloride
RefChem:860328PERMETHRIC ACID CHLORIDEDTXCID2080273-(2,2-DICHLOROVINYL)-2,2-DIMETHYL-1-CYCLOPROPANECARBONYL CHLORIDECYCLOPROPANECARBONYL CHLORIDE, 3-(2,2-DICHLOROETHENYL)-2,2-DIMETHYL-, (ALL MIXED)257-840-8Cypermethric acid chloride3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride
데이터베이스 식별자
- CAS
52314-67-7- PubChem CID
- 94551
- DTXSID
DTXSID1028027- EC Number
- 257-840-8
- Nikkaji
- J94.794F
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 241
물리화학적 성질
- 끓는 점
- 70 · 70-80°C (15 torr)
- 밀도
- 1.23 · 1.23
- 증기압
- 8.3 Pa · 8.3Pa at 25℃
- 용해도
- 클로로포름(소량으로 용해), 메탄올(약간 용해됨)
- 물리적 상태
- 기름
- 색상
- 무색~연황색
- 수용성
- 123.2 mg/L · 123.2mg/L at 25℃
- Henry's Law Constant
- 1.6 · 1.6×10-2 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- 안정성
- 수분에 민감한
- InChI
- InChI=1S/C8H9Cl3O/c1-8(2)4(3-5(9)10)6(8)7(11)12/h3-4,6H,1-2H3
- InChIKey
- CHLAOFANYRDCPD-UHFFFAOYSA-N
- SMILES
- C(Cl)(C1C(/C=C(/Cl)\Cl)C1(C)C)=O
- LogP
- 2.82 at · 2.82 at 25℃
- EPA
- 3 · Cyclopropanecarbonyl chloride, 3-(2,2-dichloroethenyl)-2,2-dimethyl- (52314-67-7)
안전 및 규제
GHS 분류
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P264, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationStatus: Cease Manufacture Update: 13-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/25311
Hazard Classes and CategoriesAcute Tox. 3 (100%)
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-11333
화학 및 산업
용도 및 제조
General Manufacturing InformationCyclopropanecarbonyl chloride, 3-(2,2-dichloroethenyl)-2,2-dimethyl-: ACTIVE
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