아이소사이안산
Isocyanic acid
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기본 정보
- CAS
75-13-8- 표준 SMILES
N=C=O- InChIKey
OWIKHYCFFJSOEH-UHFFFAOYSA-N- 분자식
- CHNO
- 평균 분자량
- 43.025 g/mol
- 단동위원소 질량
- 43.00581365
개요
Isocyanic acid is a colourless, volatile, poisonous inorganic compound with the formula HNCO; the simplest stable chemical compound that contains carbon, hydrogen, nitrogen, and oxygen, the four most commonly-found elements in organic chemistry and biology. It is a hydracid and a one-carbon compound. It is a conjugate acid of a cyanate. It is a tautomer of a cyanic acid.
이름 및 식별자
- 우선 이름
- Isocyanic acid
- IUPAC
- isocyanic acid
- 현지명
- 아이소사이안산
- 영어명
- Isocyanic acid
- 분자식
- CHNO
- 분자량
- 43.02
이름 및 동의어
Isocyanic acid75-13-8Hydrogen isocyanateHNCOisozyansaeureoxidoazanediidocarbonHN=C=OCHEBI:29202Isocyanic acid (hnco)QKG6U31925[C(NH)O]DTXSID9073884
이름 더 보기
아이소사이안산Polyisocyanates75-13-8 ISOCYANIC ACIDIL 1451 BAIL 1351 BAIsocyanatoCarbonimideIsocyanicaci
(C(NH)O)carboximidoyloxidaneRefChem:791715DTXCID1047732616-189-3isocyansaeureCHNOimino-ketone
데이터베이스 식별자
- CAS
75-13-8- PubChem CID
- 6347
- DTXSID
DTXSID9073884- ChEBI
CHEBI:29202- UNII
- QKG6U31925
- EC Number
- 616-189-3
- Nikkaji
- J9.226F
물성
구조 계산 물성보충 중
- XLogP
- 1
- 극성 표면적
- 40.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 3
- 형식 전하
- 0
- 복잡도
- 27.8
실험 및 물리화학적 성질
SpringerMaterials PropertiesCoriolis coupling
Vapor Pressure996 [mm Hg] @25 °C
물리화학적 성질
- 녹는점
- -86 °C · -86 °C
- 끓는 점
- 41.91 °C · 41.91°C (rough estimate)
- 밀도
- 1.04 · 1.04±0.1 g/cm3(Predicted)
- 굴절률
- 1.43 · 1.4300 (estimate)
- 수소이온지수(pH)
- 3.35 · 3.35(1 mM solution);2.76(10 mM solution);2.23(100 mM solution)
- 비열
- 1.04 J/ · Cp(gas): 1.04 J/(g·K), at 25℃
- Henry's Law Constant
- 2 · 2.0×10-1 mol/(m3Pa) at 25℃, Roberts and Liu (2019)
- InChI
- InChI=1S/CHNO/c2-1-3/h2H
- InChIKey
- OWIKHYCFFJSOEH-UHFFFAOYSA-N
- SMILES
- N=C=O
- EPA
- Isocyanic acid (75-13-8)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
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, P319, 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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 및 보호
Protective Action Criteria (PAC)
2.0 [ppm]
7.1 [ppm]
15 [ppm]
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)
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)
상·하류 제품 정보
상류 원료
하류 제품
추가 설명
정의ChEBI: A colourless, volatile, poisonous inorganic compound with the formula HNCO; the simplest stable chemical compound that contains carbon, hydrogen, nitrogen, and oxygen, the four most commonly-found elements in organic chemistry and biology.
관련 반응
71건
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