イソシアン酸

Isocyanic acid

HCID 6347CAS 75-13-8

基本情報

標準SMILES
N=C=O
InChIKey
OWIKHYCFFJSOEH-UHFFFAOYSA-N
分子式
CHNO
平均分子量
43.025 g/mol
単同位体質量
43.00581365

概要

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.

名称と識別子

優先名称
Isocyanic acid
IUPAC
isocyanic acid
現地名
イソシアン酸
英語名
Isocyanic acid
分子式
CHNO
分子量
43.02

名称と別名

Isocyanic acid75-13-8Hydrogen isocyanateHNCOisozyansaeureoxidoazanediidocarbonHN=C=OCHEBI:29202Isocyanic acid (hnco)QKG6U31925[C(NH)O]DTXSID9073884
名称をさらに表示
イソシアナトカルボイミドイソシアナートカルビミドイソシアン酸イソシアネートカルボキシミドイルオキシダンPolyisocyanates75-13-8 ISOCYANIC ACIDIL 1451 BAIL 1351 BAIsocyanatoCarbonimideIsocyanicaci
(C(NH)O)carboximidoyloxidaneRefChem:791715DTXCID1047732616-189-3isocyansaeureCHNOimino-ketone

データベース識別子

CAS
75-13-8
PubChem CID
6347
DTXSID
DTXSID9073884
ChEBI
CHEBI:29202
UNII
QKG6U31925
EC Number
616-189-3
Nikkaji
J9.226F

物性

構造計算による物性

XLogP
1
極性表面積
40.9 Ų
水素結合供与体数
1
水素結合受容体数
2
回転可能結合数
0
重原子数
3

実験および物理化学的性質

SpringerMaterials PropertiesCoriolis coupling
Vapor Pressure996 [mm Hg] @25 °C

物理化学的性質

融点
-86 °C · -86 °C
沸点
41.91 °C · 41.91°C (rough estimate)
比重(密度)
1.04 · 1.04±0.1 g/cm3(Predicted)
屈折率
1.43 · 1.4300 (estimate)
PH
3.35 · 3.35(1 mM solution);2.76(10 mM solution);2.23(100 mM solution)
比熱容量
1.04 J/ · Cp(gas): 1.04 J/(g·K), at 25℃

化学的性質

化学性质ウレタン変性アルキド樹脂の変性剤として用いられる。

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全と保護具

Protective Action Criteria (PAC) · 3 件

2.0 [ppm]

7.1 [ppm]

15 [ppm]

毒性情報

Treatment · 1 件

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 · 1 件

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 · 1 件

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).

安全データ

危険有害性情報
コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード H302

化学と産業

薬理情報

Metabolism/Metabolites · 1 件

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)

応用分野 · 2 件

解説イソシアン酸,HN=C=O(43.02).シアン酸HOCNとの互変異性体.雷酸HONCの構造異性体.シアン酸と同じく,シアヌル酸の熱分解で生成する.気体分子は,H-N0.99 Å,N-C1.21 Å,C-O1.17 Å.∠H-N-C128°,∠N-C-O180°.気体状態またはCCl4,ベンゼン,エーテルなどの溶液中では,おもにイソシアン酸の形をとり,数週間は安定である.水にわずかに溶け,主としてシアン酸形をとるが,不安定で加水分解して炭酸水素アンモニウムになる.イソシアン酸エステルRNCO(Rは炭化水素基)には,シアン酸エステルに比べて,安定なものが多い.金属塩は,金属の種類によってMNCO,MOCNの双方の型のものが得られる.金属錯体でも配位子がO-配位(シアナト錯体),N-配位(イソシアナト錯体)の双方のものが知られている.

用途アルキド樹脂の変性剤

サプライヤー50 社

北京华美互利生物化工010-56205725 · [email protected]
阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
山东旭晨化工科技有限公司0533-15715337262 15715337262 · [email protected]
济南新晨化工有限公司15318808971 15318808971
補足説明 · 1 件

定義ChEBI: 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.

関連反応

71 件

関連ノート

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