2-(3-formyl-1H-indol-1-yl)acetic acid

HCID 771465
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基本情報

CAS
138423-98-0
標準SMILES
O=Cc1cn(CC(=O)O)c2ccccc12
InChIKey
ZUUGBTJTGRTIFK-UHFFFAOYSA-N
分子式
C11H9NO3
平均分子量
203.19 g/mol
単同位体質量
203.05824315

名称と識別子

優先名称
2-(3-formyl-1H-indol-1-yl)acetic acid
IUPAC
2-(3-formylindol-1-yl)acetic acid
英語名
N-Acetic acid-indole-3-carboxaldehyde
分子式
C11H9NO3
分子量
203.19

名称と別名

2-(3-formyl-1H-indol-1-yl)acetic acidRefChem:455592623-781-5138423-98-0(3-formylindol-1-yl)acetic acid3-formylindol-1-yl-acetic acid(3-Formyl-1-indolyl)acetic acid(3-Formyl-Indol-1-Yl)-Acetic AcidN-Acetic acid-indole-3-carboxaldehyde2-(3-formylindol-1-yl)acetic Acid1H-Indole-1-acetic acid, 3-formyl-(3-formyl-1H-indol-1-yl)acetic acid
名称をさらに表示
TIMTEC-BB SBB010076CHEMBRDG-BB 40026613-FORMYL INDOLEACETIC ACID3-FORMYLINDOLE-1-ACETIC ACID3-Formylindole-N-acetic acid3-Formylindol-1-yl-AceticAci3-FORMYLINDOLE-1-YL-ACETIC ACID3-Formyl-1H-indole-1-acetic acid
MFCD00452923indole-n-acetic acid-3-carboxaldehydeSTK500554indole-n-acetic acid 3-carboxaldehydeAKOS0001031591-(Carboxymethyl)indole-3-carboxaldehyde(3-Formyl-1-indolyl)acetic acid, >=97.0%F2130-0059

データベース識別子

CAS
138423-98-0
PubChem CID
771465
DTXSID
DTXSID50354388
EC Number
623-781-5

物性

構造計算による物性

XLogP
1.2
極性表面積
59.3 Ų
水素結合供与体数
1
水素結合受容体数
3
回転可能結合数
3
重原子数
15

物理化学的性質

融点
197 · 197-200 °C(lit.)
沸点
458.5 · 458.5±25.0 °C(Predicted)
比重(密度)
1.3 · 1.30±0.1 g/cm3(Predicted)
貯蔵温度
2 · Keep in dark place,Inert atmosphere,2-8°C
酸解離定数(Pka)
4.15 · 4.15±0.10(Predicted)
外見
solid

化学的性質

化学的特性Solid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

安全データ

F
8-10-23
wgk
3
hs_code
29339900
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36

化学と産業

応用分野

使用Handle to synthesize an indolecarboxaldehyde resin by coupling to an amino-resin. Amines and derivatives can be immobilized by reductive amination of this aldehyde resin. Mild cleavage with 50% TFA

上流・下流製品情報

サプライヤー100 社

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

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