6-ヒドロキシインドール

6-Hydroxyindole

HCID 524508CAS 2380-86-1
部分構造検索類似構造を探す

基本情報

標準SMILES
Oc1ccc2cc[nH]c2c1
InChIKey
XAWPKHNOFIWWNZ-UHFFFAOYSA-N
分子式
C8H7NO
平均分子量
133.15 g/mol
単同位体質量
133.05276384

概要

structure in first source

名称と識別子

優先名称
6-Hydroxyindole
IUPAC
1H-indol-6-ol
現地名
6-ヒドロキシインドール
英語名
6-Hydroxyindole
分子式
C8H7NO
分子量
133.15

名称と別名

6-Hydroxyindole2380-86-11H-indol-6-olIMEXINE OBA3I03JZ599TDTXSID20178497RefChem:104788DTXCID50100988417-020-46-indololMFCD00152101indol-6-ol
名称をさらに表示
6-ヒドロキシインドール6‐ヒドロキシインドール1H-インドール-6-オール6(1H)-indolol6-Hydroyindole6-HydroxyindoL6-carboxylindoline6-Hydroxyindole,97%6-Hydroxy-1H-indole
CHEMBL24138226-hydroxy indoleIndol-6-ol (6CI,7CI,8CI)indolol6hydroxyindoleUNII-3I03JZ599T6-hydroxy-indole1H-indole-6-ol

データベース識別子

CAS
2380-86-1
PubChem CID
524508
DTXSID
DTXSID20178497
ChEMBL
CHEMBL2413822
UNII
3I03JZ599T
EC Number
417-020-4、626-440-9
Nikkaji
J467.722F

物性

構造計算による物性

XLogP
2.3
極性表面積
36 Ų
水素結合供与体数
2
水素結合受容体数
1
回転可能結合数
0
重原子数
10

実験および物理化学的性質

Cosmetics · 2 件

Cosmetic ingredients (6-Hydroxyindole) -> CIR (Cosmetic Ingredient Review)

Hair dyeing

物理化学的性質

融点
125 · 125-128 °C
沸点
343.2 · 343.2±15.0 °C(Predicted)
比重(密度)
1.327 · 1.327±0.06 g/cm3(Predicted)
貯蔵温度
2 · Sealed in dry,2-8°C
溶解性
Chloroform (Slightly, Heated), Methanol (Slightly)
酸解離定数(Pka)
10.07 · 10.07±0.40(Predicted)

化学的性質

化学的特性White to off-white shiny crystalline powder

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Danger

H302 (95.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

危険有害性情報

Regulatory InformationStatus: Active Update: 19-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33474
Hazard Classes and Categories · 4 件

Acute Tox. 4 (100%)

Acute Tox. 4 (95.3%)

Acute toxicity - category 4

Acute Tox. 4 *

毒性情報

Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org

安全データ

wgk
3
ridadr
UN 3077
hs_code
29339900
risk_code
36/37/38-51/53-43-41-22
hazard_code
Xi,N,Xn
hazard_note
Irritant

化学と産業

薬理情報

Metabolism/Metabolites6-Hydroxyindole is a known human metabolite of indole.

用途と製造

UsesCIR ingredient: 6-Hydroxyindole
Household ProductsInformation on 14 consumer products that contain 6-hydroxyindole in the following categories is provided:
Use ClassificationCosmetics -> Hair dyeing
応用分野 · 2 件

用途有機合成原料。

使用Reactant for preparation of tryptophan dioxygenase inhibitors pyridyl-ethenyl-indoles as potential anticancer immunomodulatorsReactant for asymmetrical synthesis of notoamide J as a potential biosynthetic precursor of prenylated indole alkaloidsReactant for preparation of (quinolinyloxymethyl)isoxazolecarboxylate esters antituberculosis agentsReactant for preparation of indolyl(propanolamine) derivatives as HIV inhibitorsReactant for preparation of indoleoxyacetic acid derivatives as peroxisome proliferator-activated receptor agonistsReactant for preparation of 1-aroylindole 3-aroylindoles combretastatin A-4 analogs as antitumor agents and tubulin polymerization inhibitors

上流・下流製品情報

サプライヤー50 社

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

関連反応

62 件
反応記録を作成

関連ノート

読み込み中…