클로로설포닐이소시아네이트

클로로설포닐아이소시안산 · 설퍼릴클로라이드이소시아네이트 · 클로로설포닐아이소시아네이트 · 클로로설포닐이소시아네이트 · 클로로설포닐아이소시아네이트(CHLOROSULFONYLISOCYANATE) · 클로로설포닐 아이소시안산 · CSI · sulfurisocyanatidic chloride

https://huagongshe.com/ko/chemical/70918

식별자 및 물리적 특성

CAS No.	1189-71-5
분자식	CClNO3S
평균 분자량	141.53 g/mol
단동위원소 질량	140.92874154 g/mol
SMILES	O=C=NS(=O)(=O)Cl
InChIKey	WRJWRGBVPUUDLA-UHFFFAOYSA-N
PubChem CID	70918
EC No.	214-715-2
DTXSID	DTXSID0061585
현지명	클로로설포닐이소시아네이트

화학 및 물리적 성질

XLogP	1.5
극성 표면적	72
수소 결합 공여자 수	0
수소 결합 수용자 수	4
회전 가능 결합 수	1
무거운 원자 수	7
형식 전하	0
복잡도	181
SpringerMaterials Properties	Schoenflies notation
녹는점	-44 °C (lit.)
끓는 점	107 °C (lit.)
밀도	1.626 g/mL at 25 °C (lit.)
증기압	5.57 psi ( 20 °C)
굴절률	n20/D 1.447(lit.)
인화점	>110°C
저장 조건	2-8°C
용해도	클로로포름(약간 용해됨 가열)
물리적 상태	결정, 결정질 분말 또는 과립
비중	1.626 (20℃)
색상	하얀색
용해도	격렬하게 발열반응한다
BRN	1237247
InChI	1S/CClNO3S/c2-7(5,6)3-1-4
InChIKey	WRJWRGBVPUUDLA-UHFFFAOYSA-N
SMILES	ClS(=O)(=O)N=C=O
EPA	Sulfuryl chloride isocyanate (1189-71-5)

화학적 성질

Clear liquid, colourless

안전 및 규제

GHS 분류	DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P233, P260, P261, P264, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P342+P316, P362+P364, P363, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 88 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Chemical: Sulfuryl chloride isocyanateStatus: Active Update: 28-11-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/10803Chlorosulphonyl isocyanate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Acute Tox. 4 (100%)
Treatment	Antidotes to cyanide poisoning include hydroxocobalamin and sodium nitrite, which release the cyanide from the cytochrome system, and rhodanase, which is an enzyme occurring naturally in mammals that combines serum cyanide with thiosulfate, producing comparatively harmless thiocyanate. Oxygen therapy can also be administered. (L97)
건강 영향	Exposure to high levels of cyanide for a short time harms the brain and heart and can even cause coma, seizures, apnea, cardiac arrest and death. Chronic inhalation of cyanide causes breathing difficulties, chest pain, vomiting, blood changes, headaches, and enlargement of the thyroid gland. Skin contact with cyanide salts can irritate and produce sores. (L96, L97)
노출 경로	Oral (L96)inhalation (L96)dermal (L96)
독성 요약	Cyanide is an inhibitor of cytochrome c oxidase in the fourth complex of the electron transport chain (found in the membrane of the mitochondria of eukaryotic cells). It complexes with the ferric iron atom in this enzyme. The binding of cyanide to this cytochrome prevents transport of electrons from cytochrome c oxidase to oxygen. As a result, the electron transport chain is disrupted and the cell can no longer aerobically produce ATP for energy. Tissues that mainly depend on aerobic respiration, such as the central nervous system and the heart, are particularly affected. Cyanide is also known produce some of its toxic effects by binding to catalase, glutathione peroxidase, methemoglobin, hydroxocobalamin, phosphatase, tyrosinase, ascorbic acid oxidase, xanthine oxidase, succinic dehydrogenase, and Cu/Zn superoxide dismutase. Cyanide binds to the ferric ion of methemoglobin to form inactive cyanmethemoglobin. (L97)

용도

Chlorosulfonyl isocyanate, a highly reactive chemical for chemical synthesis, is used as an intermediate used for production of antibiotics (Cefuroxime, penems), polymers as well as agrochemicals. Product Data Sheet

일반 설명

Chlorosulfonyl isocyanate reacts with hydrocarbon alkenes via stepwise dipolar pathway to give N-chlorosulfonyl-β-lactams.