2-Methylindoline (HCID 23305)

名称と識別子

優先名称: 2-Methylindoline
IUPAC: 2-methyl-2,3-dihydro-1H-indole
現地名: 2-メチルインドリン
英語名: 2-Methylindoline
分子式: C9H11N
分子量: 133.19

名称と別名

2-Methylindoline6872-06-62-methyl-2,3-dihydro-1H-indole2,3-Dihydro-2-methylindole1H-Indole, 2,3-dihydro-2-methyl-2-Methyl-2,3-dihydroindoleIndoline, 2-methyl-Dihydroindole, 2-methyl-alpha-Methyldihydroindole2,3-DIHYDRO-2-METHYL-1H-INDOLE5GAL2SM4VVPE-11

名称をさらに表示

2-メチルインドリン2-メチル-2,3-ジヒドロ-1H-インドール2,3-ジヒドロ-2-メチル-1H-インドール2-メチルジヒドロインドール2‐メチルインドリン2-methyl-indolin2-Methylindoline>2-Methyl-1H-indolineα-Methyldihydroindolea-Methyldihydroindole

NSC 65598EINECS 229-971-0NSC-65598BRN 0081505DTXSID708843395-20-06-00344 (Beilstein Handbook Reference)RefChem:476094DTXCID90835247

データベース識別子

CAS: 6872-06-6
PubChem CID: 23305
DTXSID: DTXSID70884339
ChEBI: CHEBI:166548
UNII: 5GAL2SM4VV
EC Number: 229-971-0
Nikkaji: J8.853F

物性

構造計算による物性

XLogP: 2.4
極性表面積: 12 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 10
形式電荷: 0
複雑度: 122

物理化学的性質

融点: -51 °C · -51 °C
沸点: 228 · 228-229 °C (lit.)
比重(密度): 1.023 g/mL · 1.023 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.569(lit.)
闪点: 200 °F · 200 °F
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: クロロホルム、メタノール
外見: 液体
酸解離定数(Pka): 5.26 · 5.26±0.40(Predicted)
比重: 1.02 · 1.02
色: クリアイエロー～ブラウン
水溶解度: 無視できる
InChI: 1S/C9H11N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-5,7,10H,6H2,1H3
InChIKey: QRWRJDVVXAXGBT-UHFFFAOYSA-N
SMILES: CC1Cc2ccccc2N1
CAS データベース: 6872 · 6872-06-6(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2-Methylindoline(6872-06-6)
EPAの化学物質情報: 1 H-Indole, · 1H-Indole, 2,3-dihydro-2-methyl- (6872-06-6)

化学的性質

化学的特性CLEAR YELLOW TO BROWN LIQUID

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 21.1% (16 of 76) of reports.

Warning

H302 (22.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (57.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (59.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (56.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H411 (11.8%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 76 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 16 of 76 reports by companies.；There are 12 notifications provided by 60 of 76 reports by companies with hazard statement code(s).；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

Regulatory Information · 2 件

Chemical: 1H-Indole, 2,3-dihydro-2-methyl-

Status: Active Update: 18-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/21863

Hazard Classes and CategoriesAcute Tox. 4 (22.4%)；Skin Irrit. 2 (57.9%)；Eye Irrit. 2 (59.2%)；STOT SE 3 (56.6%)；Aquatic Chronic 2 (11.8%)

法規制情報

Regulatory Information · 2 件

Chemical: 1H-Indole, 2,3-dihydro-2-methyl-

Status: Active Update: 18-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/21863

安全データ

wgk: 3
tsca: TSCA listed
rtecs: NM1926350
hs_code: 29349990
risk_code: 36/37/38-52/53-22
化審法: (5)-141
消防法: 危-4-3-III
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-36/37/39-60-57
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 4 OralAquatic Acute 1Eye Irrit. 2
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

用途と製造

General Manufacturing Information1H-Indole, 2,3-dihydro-2-methyl-: INACTIVE

応用分野

用途有機合成原料。

使用2-Methylindoline is an intermediate in the production of various indole derivatives

調製方法

製造方法2-Methylindoline is prepared through the transformation of 1-(2-aminophenyl)propan-2-ol using acidic catalysts[1]. 2-Methylindoline is also produced by the hydrogenation of 2-methylindole in toluene[2].