HCID119722

Hexahydro-1H-azepine-1-carbonyl chloride

azepane-1-carbonyl chloride

C7H12ClNO161.63 g/molCAS 27817-35-2

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IDENTITY

结构与身份

标准SMILES: O=C(Cl)N1CCCCCC1
InChIKey: VCZFCDMBZCEPFV-UHFFFAOYSA-N
分子式: C7H12ClNO
平均分子量: 161.63 g/mol
单同位素质量: 161.0607417

COMPUTED

结构计算性质

已同步

XLogP: 2
极性表面积: 20.3 Å²
氢键供体: 0
氢键受体: 1
可旋转键: 0
重原子: 10
形式电荷: 0
复杂度: 119

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]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, 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%)；STOT SE 3 (100%)

ALIASES

名称与别名

共 20 条

27817-35-2Hexahydro-1H-azepine-1-carbonyl chloride1H-Azepine-1-carbonyl chloride, hexahydro-EINECS 248-672-6DTXSID20182135RefChem:786120DTXCID30104626248-672-6azepane-1-carbonyl chloride1-Hexamethyleniminocarbonyl chlorideazepane-1-carbonylchlorideSCHEMBL2141316CBA81735MFCD19281913AKOS017514759BS-52481NS00028372E74600EN300-1154751F847525

REACTIONS

参与反应

5 条

uspto-grants-2002_10 · 10.6084/m9.figshare.5104873.v1 · US06458781B1

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Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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uspto-grants-2012_04 · 10.6084/m9.figshare.5104873.v1 · US08148396B2

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uspto-grants-2009_08 · 10.6084/m9.figshare.5104873.v1 · US07579360B2

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