4-イソシアナト-1H-インドール

4-isocyanato-1H-indole

HCID 22032644

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 581812-74-0
標準SMILES: O=C=Nc1cccc2[nH]ccc12
InChIKey: WZBUDUAPHLTEEJ-UHFFFAOYSA-N
分子式: C9H6N2O
平均分子量: 158.16 g/mol
単同位体質量: 158.04801282

名称と識別子

優先名称: 4-isocyanato-1H-indole
IUPAC: 4-isocyanato-1H-indole
現地名: 4-イソシアナト-1H-インドール
英語名: 4-Isocyanato-1H-indole
分子式: C9H6N2O
分子量: 158.16

名称と別名

4-Isocyanato-1H-indole581812-74-0RefChem:524290894-897-3indol-4-isocyanateMFCD11505056SCHEMBL4023666SCHEMBL30564127WZBUDUAPHLTEEJ-UHFFFAOYSA-NGYA81274SBB054894AKOS006326095

名称をさらに表示

4-イソシアナト-1H-インドール1H-Indole, 4-isocyanato-

DB-087459EN300-196840

データベース識別子

CAS: 581812-74-0
PubChem CID: 22032644
EC Number: 894-897-3

物性

構造計算による物性

XLogP: 3.5
極性表面積: 45.2 Å²
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: 1
重原子数: 12
形式電荷: 0
複雑度: 211

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): 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 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H334 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

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