기본 정보
- 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
이름 더 보기
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
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
- Sulfuryl chloride isocyanate (1189-71-5)
화학적 성질
Clear liquid, colourless
안전 및 규제
GHS 분류
GHS Classification
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
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
독성 정보
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)
Health Effects
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)
Toxicity Summary
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)
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
화학 및 산업
약리 정보
Metabolism/Metabolites
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
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
공급사50 곳
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