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3-(1-メチル-1H-ベンゾイミダゾール-2-イル)-7-(ジエチルアミノ)-2H-1-ベンゾピラン-2-オン

Coumarin 30

HCID 100335
ノート反応
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
41044-12-6
標準SMILES
CCN(CC)c1ccc2cc(-c3nc4ccccc4n3C)c(=O)oc2c1
InChIKey
KZFUMWVJJNDGAU-UHFFFAOYSA-N
分子式
C21H21N3O2
平均分子量
347.4 g/mol
単同位体質量
347.16337692

概要

Tris(3-(trifluoromethyl)phenyl)antimony is a chemical compound of antimony. Antimony is a metallic element with the chemical symbol Sb and atomic number 51. Small amounts of antimony are found in the earth's crust. (L741, L808)

名称と識別子

優先名称
Coumarin 30
IUPAC
7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one
現地名
3-(1-メチル-1H-ベンゾイミダゾール-2-イル)-7-(ジエチルアミノ)-2H-1-ベンゾピラン-2-オン
英語名
Coumarin 30
分子式
C21H21N3O2
分子量
347.41

名称と別名

Coumarin 307-(Diethylamino)-3-(1-methyl-2-benzimidazolyl)coumarin2H-1-Benzopyran-2-one, 7-(diethylamino)-3-(1-methyl-1H-benzimidazol-2-yl)-CCRIS 49597-(Diethylamino)-3-(1-methyl-1H-benzimidazol-2-yl)-2-benzopyroneEINECS 255-186-8NSC 290433DTXSID6068272RefChem:579301DTXCID0039851255-186-87-(diethylamino)-4-(1-methyl-1H-benzimidazol-2-yl)-2H-chromen-2-one
名称をさらに表示
3-(1-メチル-1H-ベンゾイミダゾール-2-イル)-7-(ジエチルアミノ)クマリンクマリン30クマリン5157-(ジエチルアミノ)-3-(1-メチル-1H-ベンゾイミダゾール-2-イル)-2H-1-ベンゾピラン-2-オン3-(1-メチル-1H-ベンゾイミダゾール-2-イル)-7-(ジエチルアミノ)-2H-1-ベンゾピラン-2-オン3-(2′-N-メチルベンズイミダゾリル)-7-N,N-ジエチルアミノクマリン7-(ジエチルアミノ)-3-(1-メチル-2-ベンズイミダゾリル)クマリン3-(2-N-メチルベンズイミダゾリル)-7-N,N-ジエチルアミノクマリン7-(ジエチルアミノ)-3-(1-メチル-1H-1,3-ベンゾジアゾール-2-イル)-2H-クロメン-2-オンCoumarin 51COUMARIN 515546127-100MGExciton Coumarin 515Coumarin30,lasergrade

物性

構造計算による物性

XLogP
4
極性表面積
47.4 Ų
水素結合供与体数
0
水素結合受容体数
4
回転可能結合数
4
重原子数
26
形式電荷
0
複雑度
559

実験および物理化学的性質

Chemical ClassesDyes -> Coumarin Dyes
Physical DescriptionSolid; [MSDSonline]

物理化学的性質

融点
225 · 225-229 °C (lit.)
沸点
588 · 588.0±60.0 °C(Predicted)
比重(密度)
1.22 · 1.22±0.1 g/cm3(Predicted)
貯蔵温度
Store at room temperature
酸解離定数(Pka)
4.7 · 4.70±0.10(Predicted)
外見
powder to crystal
色
Light yellow to Yellow to Green
InChI
1S/C21H21N3O2/c1-4-24(5-2)15-11-10-14-12-16(21(25)26-19(14)13-15)20-22-17-8-6-7-9-18(17)23(20)3/h6-13H,4-5H2,1-3H3
InChIKey
KZFUMWVJJNDGAU-UHFFFAOYSA-N
SMILES
CCN(CC)c1ccc2C=C(C(=O)Oc2c1)c3nc4ccccc4n3C
EPAの化学物質情報
2 H-1-Benzopyran-2-one, · 2H-1-Benzopyran-2-one, 7-(diethylamino)-3-(1-methyl-1H-benzimidazol-2-yl)- (41044-12-6)

化学的性質

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazards SummaryMay cause skin and respiratory tract irritation; [MSDSonline] The 3 laser dyes tested for skin sensitization were found to be negative. [Blackwell Synergy - Contact Dermatitis, Volume 21, Issue 3, Page 141-147, September 1989] See Coumarin.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

毒性情報

Treatment · 1 件

Following oral exposure to antimony, administer charcoal as a slurry (240 mL water/30 g charcoal). Following inhalation exposure, move patient to fresh air. Monitor for respiratory distress. If cough or difficulty breathing develops, evaluate for respiratory tract irritation, bronchitis, or pneumonitis. Administer oxygen and assist ventilation as required. Treat bronchospasm with inhaled beta2 agonist and oral or parenteral corticosteroids. In case of eye exposure, irrigate exposed eyes with copious amounts of room temperature water for at least 15 minutes. Following dermal exposure, Remove contaminated clothing and wash exposed area thoroughly with soap and water. A physician may need to examine the area if irritation or pain persists. (T36)

Health Effects · 1 件

Dermal exposure to antimony can cause antimony spots (papules and pustules around sweat and sebaceous glands). Antimony poisoning can also lead to pneumoconiosis. Alterations in pulmonary function and other effects including chronic bronchitis, chronic emphysema, inactive tuberculosis, pleural adhesions, and irritation can result from inhalation of antimony. Increased blood pressure can also result from antimony poisoning. Myocardial depression, vasodilation and fluid loss may cause shock with hypotension, electrolyte disturbances and acute renal failure. Cerebral oedema, coma, convulsions, and death are possible. (L741)

化学と産業

薬理情報

Metabolism/Metabolites · 1 件

Antimony is widely distributed throughout the body. The hair and skin contain the highest levels of antimony. The adrenal glands, lung, large intestine, trachea, cerebellum, and kidneys also contain relatively high levels of antimony. Blood is the main vehicle for the transport of absorbed antimony to various tissue compartments of the body. Antimony is a metal and, therefore, does not undergo catabolism. Antimony can covalently interact with sulfhydryl groups and phosphate, as well as numerous reversible binding interactions with endogenous ligands (e.g., proteins). It is not known if these interactions are toxicologically significant. Antimony is excreted via the urine and feces. Some of the fecal antimony may represent unabsorbed antimony that is cleared from the lung via mucociliary action into the esophagus to the gastrointestinal tract. (L741)

用途と製造

Uses · 2 件

Coumarins are used as laser dyes. [Ullmann: Laser Dyes]

Breathing air, drinking water, and eating foods that contain antimony. Exposure can also occur through dermal or skin contact (L741).

General Manufacturing Information2H-1-Benzopyran-2-one, 7-(diethylamino)-3-(1-methyl-1H-benzimidazol-2-yl)-: ACTIVE
応用分野 · 2 件

使用Coumarin 30 is a laser dye for pulsed and CW operation.

一般的な説明Coumarin 30 (C30) is a laser dye that has a fluorescence yield that tends to unity, which can be potentially used in optical communications and sensors. It is highly stable on the spin coating and shows high quantum efficiency upon low concentration doping.

上流・下流製品情報

上流原料

(2-ベンゾイミダゾリル)アセトニトリル

関連反応

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化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
COUMARIN 30, DYE CONTENT 99%
Coumarin 30,pure,laser grade
Coumarin 30 Dye content 99 %
Coumarin 30, laser grade, pure
CHEBI:5193941044-12-67-(diethylamino)-3-(1-methyl-1H-benzo[d]imidazol-2-yl)-2H-chromen-2-one7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one3-(2-N-Methylbenzimidazolyl)-7-N,N-diethylaminocoumarinMFCD00051349NSC290433CT7C6AR5DD

データベース識別子

CAS
41044-12-6
PubChem CID
100335
DTXSID
DTXSID6068272
ChEMBL
CHEMBL1520346
UNII
CT7C6AR5DD
EC Number
255-186-8
Nikkaji
J1.220.442F、J294.814A

化学的特性bright yellow powder

Exposure RoutesInhalation (L741) ; oral (L741) ; dermal (L741)
Toxicity Summary · 1 件

The inhalation data suggests that the myocardium is a target of antimony toxicity. It is possible that antimony affects circulating glucose by interfering with enzymes of the glycogenolysis and gluconeogenesis pathways. The mechanism of action of antimony remains unclear. However, some studies suggest that antimony combines with sulfhydryl groups including those in several enzymes important for tissue respiration. The antidotal action of BAL depends on its ability to prevent or break the union between antimony and vital enzymes. Moreover, the The cause of death is believed to be essentially the same as that in acute arsenic poisoning. (T18, L741, A238)

Signs and Symptoms · 1 件

Abdominal pain, vomiting, diarrhea can result from inhalation of antimony. Dyspnea, headache, vomiting,cough, conjunctivitis, and bloody purulent discharge from nose can result from inhalation exposure. Skin or eye contact can cause pain and redness of the exposed surface. (T64, L741)

Carcinogen ClassificationNo indication of carcinogenicity (not listed by IARC). (L135)

安全データ

wgk
3
tsca
TSCA listed
hs_code
29322010
risk_code
36/37/38-20/21/22
hazard_code
Xn,Xi
safety_code
37/39-26-36
Hazard Classifications
Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス
11 - Combustible Solids
N,N-ジメチルホルムアミド
酢酸ナトリウム
ピペリジン
N,N-ジエチル-3-アミノフェノール
塩化ホスホリル
ジメチル硫酸

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