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시아네이트

Isocyanate

HCID 105034
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
661-20-1
표준 SMILES
[N-]=C=O
InChIKey
IQPQWNKOIGAROB-UHFFFAOYSA-N
분자식
CNO-
평균 분자량
42.017 g/mol
단동위원소 질량
41.9985372

개요

Cyanate is an organonitrogen compound and a pseudohalide anion. It has a role as a human metabolite. It is a conjugate base of a cyanic acid and an isocyanic acid.

이름 및 식별자

우선 이름
Isocyanate
IUPAC
isocyanate
현지명
시아네이트
영어명
Cyanate
분자식
CNO-
분자량
42.02

이름 및 동의어

ISOCYANATE71000-82-3DTXSID001015810RefChem:149230DTXCID401473963cyanateCyanate ion661-20-1Cyanate ion(1-)Isocyanate ion(1-)Isocyanic acid, ion(1-)YML51WA0FW
이름 더 보기
시아네이트Cyanic acid anion
CyanatesUNII-YML51WA0FWisocynateIsocyanatescarbonyl amideCyanatcyanate anionfulminate ion

데이터베이스 식별자

CAS
661-20-1、71000-82-3
PubChem CID
105034
DTXSID
DTXSID001015810
ChEMBL
CHEMBL1161700
ChEBI
CHEBI:29195
UNII
YML51WA0FW
Nikkaji
J263.680H

물성

구조 계산 물성보충 중

XLogP
1
극성 표면적
18.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
3
형식 전하
-1
복잡도
27.8

물리화학적 성질

수소이온지수(pH)
1 · pKa1= 3.46(25℃)
EPA
Cyanate (661-20-1)

안전 및 규제

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

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)

Exposure RoutesInhalation (L96) ; oral (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

HS 번호
2929909090

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)

관련 반응

742건
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