反应SMILES:O=C=NC1CC1c1ccccc1
HCID582709

(2-Isocyanatocyclopropyl)benzene

C10H9NO159.18 g/molCAS 63006-15-5

IDENTITY

结构与身份

标准SMILES
O=C=NC1CC1c1ccccc1
InChIKey
DYUXVJAFBUZREW-UHFFFAOYSA-N
分子式
C10H9NO
平均分子量
159.18 g/mol
单同位素质量
159.06841391

COMPUTED

结构计算性质

已同步
XLogP
2.9
极性表面积
29.4 Ų
氢键供体
0
氢键受体
2
可旋转键
2
重原子
12
形式电荷
0
复杂度
202

GHS

GHS分类

来源:PubChem
GHS Classification

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin];H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation];H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory];H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P233, P260, P261, P264, P270, P271, P272, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P342+P316, P362+P364, P363, P391, 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

来源:PubChem
Hazard Classes and Categories

Acute Tox. 4 (100%);Skin Corr. 1B (100%);Skin Sens. 1 (100%);Acute Tox. 3 (100%);Resp. Sens. 1 (100%);Aquatic Chronic 2 (100%)

ALIASES

名称与别名

共 13 条
(2-Isocyanatocyclopropyl)benzene63006-15-5RefChem:395938827-303-863009-74-5SCHEMBL134488DYUXVJAFBUZREW-UHFFFAOYSA-NAKOS009158374DB-054370DB-344593NS00029760EN300-81047Z1094720198

REACTIONS

参与反应

21
HRID112567

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物
HRID 112567 方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID118552

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物
HRID 118552 方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID203997

Training data from https://doi.org/10.1039/C8SC04228D (6/10)

作为反应物
HRID 203997 方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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HRID283233

Training data from https://doi.org/10.1039/C8SC04228D (8/10)

作为反应物
HRID 283233 方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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HRID286122

Training data from https://doi.org/10.1039/C8SC04228D (8/10)

作为反应物
HRID 286122 方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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HRID301822

Training data from https://doi.org/10.1039/C8SC04228D (8/10)

作为反应物
HRID 301822 方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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HRID312959

Training data from https://doi.org/10.1039/C8SC04228D (8/10)

作为反应物
HRID 312959 方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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HRID450967

uspto-grants-2013_07

作为反应物
HRID 450967 方程式

uspto-grants-2013_07 · 10.6084/m9.figshare.5104873.v1 · US08487094B2

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