1-メチルインドール-5-ボロン酸

1-Methyl-1H-indole-5-boronic acid

HCID 2759867

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 192182-55-1
標準SMILES: Cn1ccc2cc(B(O)O)ccc21
InChIKey: SYWDZJWBRYIJJB-UHFFFAOYSA-N
分子式: C9H10BNO2
平均分子量: 174.99 g/mol
単同位体質量: 175.0804587

名称と識別子

優先名称: 1-Methyl-1H-indole-5-boronic acid
IUPAC: (1-methylindol-5-yl)boronic acid
現地名: 1-メチルインドール-5-ボロン酸
英語名: 1-METHYL-1H-INDOLE-5-BORONIC ACID 2,2-DIMETHYL PROPANE DIOL-1,3-CYCLIC ESTER
分子式: C9H10BNO2
分子量: 174.99

名称と別名

1-Methyl-1H-indole-5-boronic acidRefChem:433869675-110-0192182-55-1N-Methylindole-5-boronic acid1-Methylindole-5-boronic acid(1-methyl-1H-indol-5-yl)boronic acidn-methylindol-5-boronic acid(1-methylindol-5-yl)boronic Acid1-methyl-1H-indol-5-ylboronic acidMFCD03412070Boronic acid, B-(1-methyl-1H-indol-5-yl)-

名称をさらに表示

1-メチルインドール-5-ボロン酸N-メチルインドール-5-ボロン酸AKOS BRN-1018AKOS BRN-01671-Methylindole-5-BoronicN-methyll-5-boronic acid5-Borono-1-methyl-1H-indole1-Methylindole-5-boronicaci

1-methyl-5-indoleboronic acid1-Methyl-5-indolylboronic acid1-Methylindole-5-boronicacidBoronic acid, (1-methyl-1H-indol-5-yl)-1-Methyl- 5-indolylboronic acidSCHEMBL3104391-methyl-1h-indole-5-boronicN-methyl indole-5-boronic acid

データベース識別子

CAS: 192182-55-1
PubChem CID: 2759867
DTXSID: DTXSID40374954
EC Number: 675-110-0
Nikkaji: J852.957D

物性

構造計算による物性

極性表面積: 45.4 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 13
形式電荷: 0
複雑度: 188

物理化学的性質

沸点: 402.6 · 402.6±37.0 °C(Predicted)
比重(密度): 1.16 · 1.16±0.1 g/cm3(Predicted)
貯蔵温度: -20 °C · Inert atmosphere,Store in freezer, under -20°C
酸解離定数(Pka): 8.99 · 8.99±0.30(Predicted)
外見: powder
色: Off-white
InChI: 1S/C9H10BNO2/c1-11-5-4-7-6-8(10(12)13)2-3-9(7)11/h2-6,12-13H,1H3
InChIKey: SYWDZJWBRYIJJB-UHFFFAOYSA-N
SMILES: CN(C=C1)C2=C1C=C(C=C2)B(O)O

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (16.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (83.3%): 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, P305+P354+P338, P317, 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 6 reports by companies from 5 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 Dam. 1 (16.7%)；Eye Irrit. 2 (83.3%)；STOT SE 3 (100%)

安全データ

wgk: WGK 3
hs_code: 2933299090
risk_code: 36/37/38-22-41-37/38
hazard_code: Xi,Xn
safety_code: 26-36/37/39-39
hazard_class: IRRITANT
Hazard Classifications: Eye Dam. 1Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

上流・下流製品情報

上流原料

水素化ナトリウムほう酸トリメチルヘキサン窒素 1-リチオ-1,1-ジメチルエタン 5-ブロモインドールシクロヘキサンヒドリドカリウム 1,2-ジメトキシエタンヨードメタン

サプライヤー66 社

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]

天津羲泽润科技有限公司18622687818 · [email protected]

苏州启航生物科技有限公司18151111370 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

化合物ノート

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