Indanofan 分子结构式
HCID11046097

Indanofan

2-[[2-(3-chlorophenyl)oxiran-2-yl]methyl]-2-ethylindene-1,3-dione

C20H17ClO3340.8 g/molCAS 133220-30-1

IDENTITY

结构与身份

标准SMILES
CCC1(CC2(c3cccc(Cl)c3)CO2)C(=O)c2ccccc2C1=O
InChIKey
PMAAYIYCDXGUAP-UHFFFAOYSA-N
分子式
C20H17ClO3
平均分子量
340.8 g/mol
单同位素质量
340.0866221

COMPUTED

结构计算性质

已同步
XLogP
4.1
极性表面积
46.7 Ų
氢键供体
0
氢键受体
3
可旋转键
4
重原子
24
形式电荷
0
复杂度
521

GHS

GHS分类

来源:PubChem
GHS Classification

Danger

H302: Harmful if swallowed [Warning Acute toxicity, oral];H317: May cause an allergic skin reaction [Warning Sensitization, Skin];H320: Causes eye irritation [Warning Serious eye damage/eye irritation];H335: May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H361: Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity];H370: Causes damage to organs [Danger Specific target organ toxicity, single exposure];H372: Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure];H373: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

P203, P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P308+P316, P318, P319, P321, P330, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

HAZARDS

危害信息

来源:PubChem
Hazard Classes and Categories

Acute toxicity (Oral) - Category 4;Serious eye damage/eye irritation - Category 2B;Skin sensitization - Category 1;Reproductive toxicity - Category 2;Specific target organ toxicity - Single exposure - Category 1 (central nervous system), Category 3 (respiratory tract irritation);Specific target organ toxicity - Repeated exposure - Category 1 (blood coagulation system), Category 2 (liver)

ALIASES

名称与别名

共 31 条
Indanofan133220-30-1Z5WQ384U76TREBIACEDTXSID10579572-(2-(3-chlorophenyl)oxiran-2-ylmethyl)-2-ethylindan-1,3-dioneNH-502MX-709061H-INDENE-1,3(2H)-DIONE, 2-((2-(3-CHLOROPHENYL)-2-OXIRANYL)METHYL)-2-ETHYL-RefChem:790890DTXCID9031725603-720-9Indanofan [ISO]UNII-Z5WQ384U76Indanofan standardEPOPRODAN(RS)-INDANOFANINDANOFAN [MI]SCHEMBL65575CHEMBL2268692

REACTIONS

参与反应

2
HRID 93165 反应方程式

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

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HRID 1461634 反应方程式

uspto-grants-1991_12 · 10.6084/m9.figshare.5104873.v1 · US05076830

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