기본 정보
- 표준 SMILES
[C-]#[N+]C- InChIKey
ZRKSVHFXTRFQFL-UHFFFAOYSA-N- 분자식
- C2H3N
- 평균 분자량
- 41.05 g/mol
- 단동위원소 질량
- 41.0265491
개요
Isocyanomethane is an isocyanide.
이름 및 식별자
- 우선 이름
- Methyl isocyanide
- IUPAC
- isocyanomethane
- 현지명
- 메틸이소시아나이드
- 영어명
- METHYL ISOCYANIDE
- 분자식
- C2H3N
- 분자량
- 41.05
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
593-75-9- PubChem CID
- 11646
- DTXSID
DTXSID3075040- ChEBI
CHEBI:44177- UNII
- B5B6DXM7GG
- EC Number
- 209-806-9
- Nikkaji
- J2.698K
물성
구조 계산 물성
- XLogP
- 0
- 극성 표면적
- 4.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 3
- 형식 전하
- 0
- 복잡도
- 29.3
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- -45 °C · -45°C
- 끓는 점
- 81.65 °C · 81.65°C (estimate)
- 밀도
- 0.7424 · 0.7424
- 굴절률
- 1.3427 · 1.3427
- 저장 조건
- Refrigerator, Under inert atmosphere
- 용해도
- 클로로포름, 메탄올(약간)에 용해됨
- 물리적 상태
- 기름
- 색상
- 연한 주황색에서 주황색으로
- 수용성
- 91 g/L · 91g/L(15℃)
- 비열
- 1.29 J/ · Cp(gas): 1.29 J/(g·K), at 25℃
- EPA
- Methyl isocyanide (593-75-9)
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P319, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
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
- ridadr
- UN2929
- 위험 등급
- 6.1, 3
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
용도Isocyanomethane can be used as porous embolization microspheres comprising drugs.
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