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结构：Cn1c(-c2ccccc2)c(C=O)c2ccccc21
HCID74468

1H-Indole-3-carboxaldehyde, 1-methyl-2-phenyl-

1-methyl-2-phenylindole-3-carbaldehyde

C16H13NO235.28 g/molCAS 1757-72-8
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IDENTITY

结构与身份

标准 SMILES
Cn1c(-c2ccccc2)c(C=O)c2ccccc21
InChIKey
YJOWMBICANYBLV-UHFFFAOYSA-N
分子式
C16H13NO
平均分子量
235.28 g/mol
单同位素质量
235.09971404

COMPUTED

结构计算性质

已同步
XLogP
3.1
极性表面积
22 Ų
氢键供体
0
氢键受体
1
可旋转键
2
重原子
18
形式电荷
0
复杂度
297

PROPERTIES

实验与物化性质

来源：PubChem
Solubility

19.5 [ug/mL] (The mean of the results at pH 7.4)

GHS

GHS 分类

来源：PubChem
GHS Classification

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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 Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

USES

用途与制造

来源：PubChem
General Manufacturing Information

1H-Indole-3-carboxaldehyde, 1-methyl-2-phenyl-: ACTIVE

ALIASES

名称与别名

共 35 条
1757-72-81H-Indole-3-carboxaldehyde, 1-methyl-2-phenyl-EINECS 217-149-4DTXSID6061947RefChem:438724DTXCID10355791-Methyl-2-phenyl-1H-indole-3-carbaldehyde1-methyl-2-phenylindole-3-carboxaldehyde1-methyl-2-phenylindole-3-carbaldehydeMFCD001860651-Methyl-2-phenyl-3-formylindole1-Methyl-2-phenylindole-3-carboxyaldehyde1-methyl-2-phenyl-indole-3-carbaldehydeMLS000709096SCHEMBL1429358CHEMBL1607352HMS2669J221-methyl-2-phenyl-3-formyl-indoleBBL013018SBB063807

REACTIONS

参与反应

1 条
全部作为反应物作为生成物作为试剂作为催化剂作为溶剂