2-ナフタレニルイソシアナート

2-Naphthyl isocyanate

HCID 16718CAS 2243-54-1

部分構造検索類似構造を探す

基本情報

標準SMILES: O=C=Nc1ccc2ccccc2c1
InChIKey: XIXJQNFTNSQTBT-UHFFFAOYSA-N
分子式: C11H7NO
平均分子量: 169.18 g/mol
単同位体質量: 169.05276385

名称と識別子

優先名称: 2-Naphthyl isocyanate
IUPAC: 2-isocyanatonaphthalene
現地名: 2-ナフタレニルイソシアナート
英語名: 2-Naphthyl isocyanate
分子式: C11H7NO
分子量: 169.18

名称と別名

2-Naphthyl isocyanate2-Isocyanatonaphthalene2243-54-12-NaphthylisocyanateNAPHTHALENE, 2-ISOCYANATO-9ZE6124VOINSC-5529BETA-NAPHTHYL ISOCYANATEDTXSID00176956RefChem:88646DTXCID0099447218-815-7

名称をさらに表示

2-ナフチルイソシアナート2-ナフタレニルイソシアナートイソシアン酸2-ナフチル2-イソシアナトナフタレンβ-Naphthyl isocyanate2-Naphthyl Isocyanate ,97%

beta-NaphthylisocyanateMFCD00014319.beta.-Naphthyl isocyanatenaphthalen-2-isocyanate2-naphthalenyl isocyanate2-isocyanato-naphthalene2-naphtyl isocyanate2-isocyanato-naphthalen

データベース識別子

CAS: 2243-54-1
PubChem CID: 16718
DTXSID: DTXSID00176956
UNII: 9ZE6124VOI
EC Number: 218-815-7
Nikkaji: J95.523J

物性

構造計算による物性

XLogP: 3.7
極性表面積: 29.4 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 13
形式電荷: 0
複雑度: 220

物理化学的性質

融点: 53 · 53-56 °C (lit.)
沸点: 83 °C/0.2 · 83 °C/0.2 mmHg (lit.)
比重(密度): 1.1616 · 1.1616 (rough estimate)
屈折率: 1.49 · 1.4900 (estimate)
外見: チャンク
色: 白い
水溶解度: 水中で加水分解します。
InChI: 1S/C11H7NO/c13-8-12-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H
InChIKey: XIXJQNFTNSQTBT-UHFFFAOYSA-N
SMILES: O=C=Nc1ccc2ccccc2c1

化学的性質

化学的特性white chunks

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (90.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (90.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (90.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H334 (13.6%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (90.9%)；Acute Tox. 4 (90.9%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (90.9%)；Resp. Sens. 1 (13.6%)；STOT SE 3 (100%)

安全データ

wgk: 3
rtecs: QJ7950000
ridadr: UN 3335
hs_code: 29291090
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 26-27-36/37/39-45
hazard_class: 6.1
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

一般的な説明2-Naphthyl isocyanate is an aromatic isocyanate. It is formed during the rat liver microsome catalyzed oxidative metabolism of 2-naphthyl isothiocyanate.