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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 6347생성일: 2026년 10월 26일

아이소사이안산

아이소사이안산 · HNCO · Hydrogen isocyanate · Polyisocyanates · 75-13-8 ISOCYANIC ACID · HN=C=O · IL 1451 BA · IL 1351 BA

https://huagongshe.com/ko/chemical/6347

아이소사이안산 분자 구조식

식별자 및 물리적 특성

CAS No.75-13-8
분자식CHNO
평균 분자량43.025 g/mol
단동위원소 질량43.00581365 g/mol
SMILESN=C=O
InChIKeyOWIKHYCFFJSOEH-UHFFFAOYSA-N
PubChem CID6347
ChEBICHEBI:29202
EC No.616-189-3
DTXSIDDTXSID9073884
현지명아이소사이안산

화학 및 물리적 성질

XLogP1
극성 표면적40.9
수소 결합 공여자 수1
수소 결합 수용자 수2
회전 가능 결합 수0
무거운 원자 수3
형식 전하0
복잡도27.8
SpringerMaterials PropertiesCoriolis coupling
증기압996 [mm Hg] @25 °C
녹는점-86 °C
끓는 점41.91°C (rough estimate)
밀도1.04±0.1 g/cm3(Predicted)
굴절률1.4300 (estimate)
pH3.35(1 mM solution)2.76(10 mM solution)2.23(100 mM solution)
비열Cp(gas): 1.04 J/(g·K), at 25℃
헨리 상수2.0×10-1 mol/(m3Pa) at 25℃, Roberts and Liu (2019)
InChIInChI=1S/CHNO/c2-1-3/h2H
InChIKeyOWIKHYCFFJSOEH-UHFFFAOYSA-N
SMILESN=C=O
EPAIsocyanic acid (75-13-8)

안전 및 규제

GHS 분류DangerH302 (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.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Protective Action Criteria (PAC)2.0 [ppm]7.1 [ppm]15 [ppm]
TreatmentAntidotes 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)
건강 영향Exposure 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)
노출 경로Inhalation (L96)oral (L96)dermal (L96)
독성 요약Cyanide 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).
기존화학 물질KE-21485