6-メトキシ-1-インダノン

6-Methoxy-1-Indanone

HCID 334036CAS 13623-25-1

基本情報

標準SMILES
COc1ccc2c(c1)C(=O)CC2
InChIKey
UJGDLLGKMWVCPT-UHFFFAOYSA-N
分子式
C10H10O2
平均分子量
162.18 g/mol
単同位体質量
162.06807956

名称と識別子

優先名称
6-Methoxy-1-Indanone
IUPAC
6-methoxy-2,3-dihydroinden-1-one
現地名
6-メトキシ-1-インダノン
英語名
6-Methoxy-1H-indanone
分子式
C10H10O2
分子量
162.19

名称と別名

6-Methoxy-1-indanone13623-25-1DTXSID60318971RefChem:543562DTXCID50270094603-948-96-methoxy-1h-indanone6-methoxy-2,3-dihydro-1H-inden-1-one6-methoxyindan-1-one6-methoxy-2,3-dihydroinden-1-one6-methoxy-indan-1-oneMFCD00021232
名称をさらに表示
6-メトキシ-1-インダノン6-メトキシ-2,3-ジヒドロ-1H-インデン-1-オン2,3-ジヒドロ-6-メトキシ-1H-インデン-1-オン6-メトキシインダン-1-オン6‐メトキシ‐1‐インダノン6-メトキシ-1-インダノン, 99%6-methoxy-1H-one6-METHOXY INDANONE6-Methoxy-1-indenone6-Methoxy-I-indanone6-Methoxyindane-1-one
1H-Inden-1-one, 2,3-dihydro-6-methoxy-2,3-dihydro-6-methoxyinden-1-one2,3-dihydro-6-methoxy-1h-inden-1-oneNSC 3382316-methoxyindanoneNSC3382316-methoxy-1-indanon6-methoxy-l-indanone

データベース識別子

CAS
13623-25-1
PubChem CID
334036
DTXSID
DTXSID60318971
EC Number
603-948-9
Nikkaji
J266.765G

物性

構造計算による物性

XLogP
1.6
極性表面積
26.3 Ų
水素結合供与体数
0
水素結合受容体数
2
回転可能結合数
1
重原子数
12

物理化学的性質

融点
105 · 105-109 °C (lit.)
沸点
228.88 °C · 228.88°C (rough estimate)
比重(密度)
1.0281 · 1.0281 (rough estimate)
屈折率
1.6 · 1.6000 (estimate)
貯蔵温度
Sealed in dry,Room Temperature
外見
微結晶性粉末

化学的性質

化学的特性white to light yellow crystal powder

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (25%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H400 (25%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (25%): Very toxic to aquatic life with long lasting effects [Warning 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, P317, 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 4 reports by companies.;There are 3 notifications provided by 3 of 4 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

Hazard Classes and CategoriesAcute Tox. 4 (50%);Acute Tox. 4 (50%);Skin Irrit. 2 (25%);Eye Irrit. 2A (25%);Acute Tox. 4 (50%);STOT SE 3 (25%);Aquatic Acute 1 (25%);Aquatic Chronic 1 (25%)

安全データ

wgk
3
hs_code
29145090
risk_code
20/21/22-36/37/38
hazard_code
Xn,Xi
safety_code
22-24/25-36/37-36-26
Hazard Classifications
Aquatic Acute 1Aquatic Chronic 1

化学と産業

応用分野

用途有機合成原料。

使用Indanone derivative as a1-adrenoceptor antagonist.

調製方法

純化方法Crystallise it from MeOH, then sublime it at high vacuum. [Beilstein 8 IV 894.]

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
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]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

関連反応

91 件

関連ノート

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