HCID22032644

4-isocyanato-1H-indole

C9H6N2O158.16 g/molCAS 581812-74-0

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IDENTITY

结构与身份

标准SMILES: O=C=Nc1cccc2[nH]ccc12
InChIKey: WZBUDUAPHLTEEJ-UHFFFAOYSA-N
分子式: C9H6N2O
平均分子量: 158.16 g/mol
单同位素质量: 158.04801282

COMPUTED

结构计算性质

已同步

XLogP: 3.5
极性表面积: 45.2 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 1
重原子: 12
形式电荷: 0
复杂度: 211

GHS

GHS分类

GHS Classification

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.

HAZARDS

危害信息

Hazard Classes and Categories

Acute 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%)

ALIASES

名称与别名

共 14 条

4-Isocyanato-1H-indole581812-74-0RefChem:524290894-897-3indol-4-isocyanateMFCD11505056SCHEMBL4023666SCHEMBL30564127WZBUDUAPHLTEEJ-UHFFFAOYSA-NGYA81274SBB054894AKOS006326095DB-087459EN300-196840

REACTIONS