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클로로설포닐이소시아네이트

Chlorosulfonyl isocyanate

HCID 70918
새 노트새 반응견적 요청하기
인쇄 미리보기
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
1189-71-5
표준 SMILES
O=C=NS(=O)(=O)Cl
InChIKey
WRJWRGBVPUUDLA-UHFFFAOYSA-N
분자식
CClNO3S
평균 분자량
141.53 g/mol
단동위원소 질량
140.92874154

개요

Chlorosulfonyl isocyanate, also known as CSI, is a chemical compound of cyanide. It is used in organic synthesis for purposes such as the preparation of medically important preparation of beta-lactams. (L573)

이름 및 식별자

우선 이름
Chlorosulfonyl isocyanate
IUPAC
N-(oxomethylidene)sulfamoyl chloride
현지명
클로로설포닐이소시아네이트
영어명
Chlorosulfonyl isocyanate
분자식
CClNO3S
분자량
141.53

이름 및 동의어

Chlorosulfonyl isocyanate1189-71-5Sulfuryl chloride isocyanateChlorosulfonylisocyanateChlorosulphonyl isocyanate[(CHLOROSULFONYL)IMINO]METHANONEDTXSID0061585((chlorosulfonyl)imino)methanoneRefChem:125518DTXCID1033458214-715-2sulfurisocyanatidic chloride
이름 더 보기
클로로설포닐아이소시안산설퍼릴클로라이드이소시아네이트클로로설포닐아이소시아네이트클로로설포닐이소시아네이트클로로설포닐아이소시아네이트(CHLOROSULFONYLISOCYANATE)클로로설포닐 아이소시안산CSIchloroSulfonylN-Carbonylsulfamyl chloride, CSIChlorosulfonyl isocyCefuroxim Impurity 17
N-Carbonylsulfamyl chloridechlorsulfonyl isocyanateN-(oxomethylidene)sulfamoyl chlorideN-Chlorosulfonyl isocyanatesulfurisocyanatidoyl chlorideN-(oxomethylene)sulfamoyl chlorideMFCD000116082903Y990SM

데이터베이스 식별자

CAS
1189-71-5
PubChem CID
70918
DTXSID
DTXSID0061585
UNII
2903Y990SM
EC Number
214-715-2
Nikkaji
J111.247C

물성

구조 계산 물성

XLogP
1.5
극성 표면적
72 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
1
무거운 원자 수
7
형식 전하
0
복잡도
181

실험 및 물리화학적 성질

SpringerMaterials PropertiesSchoenflies notation

물리화학적 성질

녹는점
-44 °C · -44 °C (lit.)
끓는 점
107 °C · 107 °C (lit.)
밀도
1.626 g/mL · 1.626 g/mL at 25 °C (lit.)
증기압
5.57 psi · 5.57 psi ( 20 °C)
굴절률
20 · n20/D 1.447(lit.)
인화점
110 °C · >110°C
저장 조건
2 · 2-8°C
용해도
클로로포름(약간 용해됨 가열)
물리적 상태
결정, 결정질 분말 또는 과립
Specific Gravity
1.626 · 1.626 (20℃)
색상
하얀색
수용성
격렬하게 발열반응한다
BRN
1237247 · 1237247
InChI
1S/CClNO3S/c2-7(5,6)3-1-4
InChIKey
WRJWRGBVPUUDLA-UHFFFAOYSA-N
SMILES
ClS(=O)(=O)N=C=O
EPA

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Danger

H302 (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.

유해성 정보

Regulatory Information · 3건

Chemical: Sulfuryl chloride isocyanate

Status: Active Update: 28-11-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/10803

Chlorosulphonyl isocyanate: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (100%)

독성 정보

Treatment · 1건

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)

Health Effects · 1건

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)

화학 및 산업

약리 정보

Metabolism/Metabolites · 1건

Cyanide is rapidly alsorbed through oral, inhalation, and dermal routes and distributed throughout the body. Cyanide is mainly metabolized into thiocyanate by either rhodanese or 3-mercaptopyruvate sulfur transferase. Cyanide metabolites are excreted in the urine. (L96)

용도 및 제조

UsesChlorosulfonyl isocyanate is used in organic synthesis for purposes such as the preparation of medically important preparation of beta-lactams. (L573)
General Manufacturing InformationSulfuryl chloride isocyanate: ACTIVE

응용 분야

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

상·하류 제품 정보

하류 제품

4-(2-케토-1-벤지미다졸린일)피페리딘1H-피롤-3-카르보니트릴,2,5-디메틸-(9CI)Imidodisulfurylchloride트리플루오로아세틸이소시아네이트,

관련 반응

1,186건
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HRID 2094 반응식
HRID 2094반응물로uspto-grants-1998_03
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HRID 5644반응물로uspto-grants-1993_09
HRID 5645 반응식
HRID 5645반응물로uspto-grants-1993_09
HRID 10322 반응식
HRID 10322반응물로uspto-grants-2006_08
HRID 10323 반응식
HRID 10323반응물로uspto-grants-2006_08
HRID 10324 반응식
HRID 10324반응물로uspto-grants-2006_08
HRID 16950 반응식
HRID 16950반응물로uspto-grants-2010_06
HRID 16966 반응식
HRID 16966반응물로uspto-grants-2010_06
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화합물 노트

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Sulfuryl chloride isocyanate (1189-71-5)

화학적 성질

Clear liquid, colourless

Exposure Routes
Oral (L96) ; inhalation (L96) ; dermal (L96)
Toxicity Summary · 1건

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)

Signs and SymptomsCyanide poisoning is identified by rapid, deep breathing and shortness of breath, general weakness, giddiness, headaches, vertigo, confusion, convulsions/seizures and eventually loss of consciousness. (L96, L97)
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

안전 데이터

wgk
3
tsca
TSCA listed
ridadr
UN 3265 8/PG 2
독성
LD50 orally in Rabbit: 640 mg/kg
HS 번호
28510080
risk_code
14-22-34-42-20/22
hazard_code
C
safety_code
23-26-30-36/37/39-45
포장분류
II
위험 등급
8
기존화학 물질
97-3-73
F 고인화성물질
10-21-19
Hazard Classifications
Acute Tox. 4 OralEye Dam. 1Resp. Sens. 1Skin Corr. 1BSkin Sens. 1
스토리지 클래스
8A - Combustible corrosive hazardous materials
1-메틸피롤-2-카보니트릴
Precursor of cefcapene diisopropylanmine salt
tert-부틸2-시아노-1H-피롤-1-일카르바메이트
2,4-Dihydroxythieno[2,3-d]pyrimidine
5-브로모-3-시아노인돌
시아노사이클로부탄
4-아세톡시-2-아제티디논
파이롤-2-카보니트릴
Benzamide, N-(chlorosulfonyl)-