1,3,2-Dioxathiolane, 2,2-dioxide

HCID 14075CAS 1072-53-3

기본 정보

표준 SMILES: O=S1(=O)OCCO1
InChIKey: ZPFAVCIQZKRBGF-UHFFFAOYSA-N
분자식: C2H4O4S
평균 분자량: 124.12 g/mol
단동위원소 질량: 123.98302961

이름 및 식별자

우선 이름: 1,3,2-Dioxathiolane, 2,2-dioxide
IUPAC: 1,3,2-dioxathiolane 2,2-dioxide
영어명: Ethylenesulfate
분자식: C2H4O4S
분자량: 124.12

이름 및 동의어

1,3,2-Dioxathiolane 2,2-dioxide1,2-Ethylene sulfateGlycol sulfate1,3,2-DIOXATHIOLANE, 2,2-DIOXIDEBRN 1237731Sulfuric acid, cyclic ethylene ester3-01-00-02110 (Beilstein Handbook Reference)RefChem:412304600-809-41072-53-3EthylenesulfateEthylene sulfate

이름 더 보기

DTDVinyl sulfateETHYLENESULPHATEEthylenedithiocarbonate1,3,2-Dioxathiolan-2,2-oxide1,3,2-Dioxathiolan-2,2-dioxide1,3,2-Dioxathiolan-2,2-oxide (DTD)1,3,2-Dioxathiolane 2,2-dioxide 98%

Ethylene glycol, cyclic sulfateethosulfateDTXSID30205981,3,2-DIOXATHIOLANE-2,2-DIOXIDEMFCD00221769DTXCID70598Ethylene glycol cyclic sulfate[1,3,2]dioxathiolane 2,2-dioxide

데이터베이스 식별자

CAS: 1072-53-3
PubChem CID: 14075
DTXSID: DTXSID3020598
ChEMBL: CHEMBL3186939
UNII: VQQ2YP43MT
EC Number: 600-809-4
Nikkaji: J1.190.180H

물성

구조 계산 물성

XLogP: -0.5
극성 표면적: 61 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 7
형식 전하: 0
복잡도: 128

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

물리화학적 성질

녹는점: 95 · 95-97 °C (lit.)
끓는 점: 231.1 · 231.1±7.0℃ (760 Torr)
밀도: 1.604 · 1.604±0.06 g/cm3 (20 ºC 760 Torr)
증기압: 0.91 · 0.91-1.7Pa at 20-25℃
굴절률: 1.509 · 1.5090 (estimate)
인화점: 93.5 · 93.5±18.2℃
저장 조건: 2 · 2-8°C
용해도: 클로로포름, 메탄올에 용해됨
물리적 상태: 고체
색상: 흰색에서 황백색까지
InChI: InChI=1S/C2H4O4S/c3-7(4)5-1-2-6-7/h1-2H2
InChIKey: ZPFAVCIQZKRBGF-UHFFFAOYSA-N
SMILES: C1OS(=O)(=O)OC1
LogP: -0.45 at · -0.45 at 23℃ and pH1.4-1.7
표면장력: 66.8 mN/m · 66.8mN/m at 1g/L and 20℃

화학적 성질

White Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 2.5% (2 of 80) of reports.

Danger

H302 (92.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P260, P261, P264, P264+P265, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 80 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 06-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/23959

Hazard Classes and CategoriesAcute Tox. 4 (92.5%)

안전 데이터

wgk: 3
rtecs: JH4800000
HS 번호: 29209085
risk_code: 22
기존화학 물질: 2014-3-6101
Hazard Classifications: Acute Tox. 4 OralCarc. 2Eye Dam. 1Skin Corr. 1BSkin Sens. 1B
스토리지 클래스: 8B - Non-combustible corrosive hazardous materials

화학 및 산업

응용 분야

용도1,3,2-Dioxathiolane 2,2-Dioxide is an alkylating agent with carcinogenic activty.

상·하류 제품 정보

상류 원료

하류 제품

요오드에탄올(2-)1H-Pyrazole-5-ethanol, 1-phenyl-10:2FTOH황산칼륨염 2-cyclobutoxyethanol 3-ethyloxolan-2-one

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

怀化元研达生物技术有限责任公司18711085600 · [email protected]

河北创海生物科技有限公司+86-86-13131129325 · [email protected]

연결된 노트

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