이소프로티올란

Isoprothiolane

HCID 39681CAS 50512-35-1
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC(C)OC(=O)C(C(=O)OC(C)C)=C1SCCS1
InChIKey
UFHLMYOGRXOCSL-UHFFFAOYSA-N
분자식
C12H18O4S2
평균 분자량
290.4 g/mol
단동위원소 질량
290.0646514

이름 및 식별자

우선 이름
Isoprothiolane
IUPAC
dipropan-2-yl 2-(1,3-dithiolan-2-ylidene)propanedioate
현지명
이소프로티올란
영어명
Isoprothiolane
분자식
C12H18O4S2
분자량
290.4

이름 및 동의어

ISOPROTHIOLANE50512-35-1Fuji-oneNKK 100bis(1-methylethyl) 1,3-dithiolan-2-ylidenepropanedioatePropanedioic acid, 1,3-dithiolan-2-ylidene-, bis(1-methylethyl) esterDi-isopropyl 1,3-dithiolane-2-ylidenemalonatediisopropyl 1,3-dithiolan-2-ylidenemalonateDTXSID8058110NNF 10988HCS898G6di(propan-2-yl) 1,3-dithiolan-2-ylidenemalonate
이름 더 보기
이소프로티올란IPTPropanedioicacid,1,3-dithiolan-2-ylidene-,bis(1-methylethyl)esterfuji1nkk100Fuji 1ISORANVIFUSINNF-109
CHEBI:60471,3-Dithiolan-2-ylidenepropanedioic acid, bis(1-methylethyl) ester1,3-bis(propan-2-yl) 2-(1,3-dithiolan-2-ylidene)propanedioateRefChem:792266DTXCID7031878FudiolanDiisopropyl 2-(1,3-dithiolan-2-ylidene)malonateFujione

데이터베이스 식별자

CAS
50512-35-1
PubChem CID
39681
DTXSID
DTXSID8058110
ChEMBL
CHEMBL35280
ChEBI
CHEBI:6047
UNII
88HCS898G6
EC Number
610-537-8
Nikkaji
J3.513K

물성

구조 계산 물성

XLogP
3.3
극성 표면적
103 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
6
회전 가능 결합 수
6
무거운 원자 수
18

실험 및 물리화학적 성질

LogP2.88
Solubility0.054 mg/mL at 25 °C
Melting Point50 - 54.5 °C
Physical DescriptionSolid
Kovats Retention Index · 2건

2198；2167；2175；2177；2154.3；2167；2194；2164.2

3254

물리화학적 성질

녹는점
54 °C · 54°C
끓는 점
402.48 °C · 402.48°C (rough estimate)
밀도
1.3402 · 1.3402 (rough estimate)
증기압
1.9 Pa · 1.9 Pa (25 °C)
굴절률
1.495 · 1.4950 (estimate)
저장 조건
2 · Keep in dark place,Sealed in dry,2-8°C

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H411 (33.7%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 83 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information2002/2076
Hazard Classes and Categories · 3건

Acute Tox. 4 (100%)；Aquatic Chronic 2 (33.7%)

Acute toxicity (Oral) - Category 4；Acute toxicity (Inhalation: Dusts and mists) - Category 4；Serious eye damage/eye irritation - Category 2B；Hazardous to the aquatic environment (Acute) - Category 2；Hazardous to the aquatic environment (Long-term) - Category 2

Hazardous to the aquatic environment (Acute) - Category 2；Hazardous to the aquatic environment (Long-term) - Category 2

규제 정보

Regulatory Information2002/2076

안전 데이터

wgk
3
ridadr
UN 3077 9 / PGIII
독성
LD50 oral in rabbit: 2320mg/kg
HS 번호
29341000
risk_code
22-51/53
hazard_code
Xn,N

화학 및 산업

약리 정보

Cellular LocationsMembrane

응용 분야

용도Isoprothiolane is a dithiolane pesticide. Isoprothiolane is commonly used in agriculture as a fungicide to control planthoppers and blast disease in rice plants.

상·하류 제품 정보

공급사50 곳

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
山东泰诚生物科技有限公司18769832557 18769832557 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
江苏智芯廷科技有限公司18221391031 · [email protected]

관련 반응

4건
반응 기록 만들기

연결된 노트

불러오는 중…