2,3-ジメチルインドール

2,3-Dimethylindole

HCID 7053
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基本情報

CAS
91-55-4
標準SMILES
Cc1[nH]c2ccccc2c1C
InChIKey
PYFVEIDRTLBMHG-UHFFFAOYSA-N
分子式
C10H11N
平均分子量
145.2 g/mol
単同位体質量
145.08914936

名称と識別子

優先名称
2,3-Dimethylindole
IUPAC
2,3-dimethyl-1H-indole
現地名
2,3-ジメチルインドール
英語名
2,3-Dimethylindole
分子式
C10H11N
分子量
145.2

名称と別名

2,3-Dimethylindole2,3-Dimethyl-1H-indole91-55-41H-Indole, 2,3-dimethyl-INDOLE, 2,3-DIMETHYL-TFW7O9HWZKDTXSID6059027NSC-24936RefChem:442536DTXCID0048719202-076-2NSC 24936
名称をさらに表示
2,3-ジメチルインドール2-メチル-3-メチル-1H-インドール2,3-ジメチル-1H-インドール2,3-ジメチルインド-ル2,3-ジメチルインドール, 98%2,3-dimethyl-indol2,3-DIMETHYLINDOLINE2.3.3-Trimethyl-6,7-2,3-dimethyl-1h-indol2,3-Dimethylindole,98%
MFCD00005617UNII-TFW7O9HWZK2,3-Dimethylindole, >=97%CHEMBL3252119HMS1648J03STL377851SY048829D1579

データベース識別子

CAS
91-55-4
PubChem CID
7053
DTXSID
DTXSID6059027
ChEMBL
CHEMBL3252119
UNII
TFW7O9HWZK
EC Number
202-076-2
Nikkaji
J45.614D

物性

構造計算による物性

XLogP
2.8
極性表面積
15.8 Ų
水素結合供与体数
1
水素結合受容体数
0
回転可能結合数
0
重原子数
11

実験および物理化学的性質

Vapor Pressure0.00179 [mmHg]
Physical DescriptionWhite crystalline solid; [Alfa Aesar MSDS]
Kovats Retention Index · 3 件

1490.3；1476；1484；1499；1477.2

1507.4；257.32；255.48

2502；2539

物理化学的性質

融点
105 · 105-107 °C (lit.)
沸点
285 °C · 285 °C (lit.)
比重(密度)
1.0641 · 1.0641 (estimate)
屈折率
1.603 · 1.6030 (estimate)
闪点
285 °C/750mm · 285°C/750mm
貯蔵温度
2 · under inert gas (nitrogen or Argon) at 2–8 °C

化学的性質

化学的特性White to yellow powder

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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

Regulatory Information1H-Indole, 2,3-dimethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See 3-Methylindole.
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (50%)；Eye Irrit. 2A (50%)；Acute Tox. 4 (100%)；STOT SE 3 (50%)

法規制情報

Regulatory Information1H-Indole, 2,3-dimethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

安全データ

wgk
3
tsca
TSCA listed
rtecs
NL7185000
hs_code
29339900
safety_code
24/25
ストレージクラス
11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing Information1H-Indole, 2,3-dimethyl-: ACTIVE
応用分野 · 2 件

用途有機合成原料。

使用2,3-Dimethylindole has been used to study the mechanism of oxidation of 2,3-dimethylindole by peroxodisulphate and peroxomonosulphate anions to 2-methylindole-2-carbaldehyde. It has been used to study the behaviour of methylindoles in the agilent multimode ion source by atmospheric pressure chemical ionization mass spectrometry.

上流・下流製品情報

上流原料

サプライヤー100 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

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