基本情報
- CAS
20073-24-9- 標準SMILES
CCOC(=O)c1cc2cc3ccoc3cc2oc1=O- InChIKey
CFQAMEDTKHNQTP-UHFFFAOYSA-N- 分子式
- C14H10O5
- 平均分子量
- 258.23 g/mol
- 単同位体質量
- 258.05282342
概要
3-carbethoxypsoralen is a yellow powder. (NTP, 1992)
名称と識別子
- 優先名称
- Ethyl 7-oxo-7H-furo(3,2-g)(1)benzopyran-6-carboxylate
- IUPAC
- ethyl 7-oxofuro[3,2-g]chromene-6-carboxylate
- 現地名
- 3-カルボエトキシソラレン
- 英語名
- ethyl 7-oxo-7H-furo[3,2-g][1]benzopyran-6-carboxylate
- 分子式
- C14H10O5
- 分子量
- 258.23
名称と別名
3-CARBETHOXYPSORALEN20073-24-93-CPs3-EthoxycarbonylpsoralenEthyl 3-psoralencarboxylateethyl 7-oxo-7h-furo[3,2-g][1]benzopyran-6-carboxylateBB04Z808HMEthyl 7-oxo-7H-furo(3,2-g)(1)benzopyran-6-carboxylateDTXSID20748757-Oxo-7H-furo(3,2-g)(1)benzopyran-6-carboxylic acid ethyl esterRefChem:93329DTXCID4036196
名称をさらに表示
3-カルボエトキシソラレン3-カルベトキシソラレン3-カルボエトキシプソラレンエチル 7-オキソ-7H-フロ[3,2-g]クロメン-6-カルボキシラート7-オキソ-7H-フロ[3,2-g][1]ベンゾピラン-6-カルボン酸エチル3-エトキシカルボニルプソラレンBrn 0278285Einecs 243-498-73-Carbethoxypsoralen.3-Carbethoxypsoralen|||3-EthoxycarbonylpsoralenFURO(3,2-GBENZOPYRAN-6-CARBOXYLICACID,7-OXO-,ETHYLESTER
243-498-73-Carbethoxy-psoralen7H-furo(3,2-g)(1)benzopyran-3-carboxylic acid, 7-oxo-, ethyl esterethyl 7-oxo-7H-furo[3,2-g]chromene-6-carboxylateethyl 7-oxofuro[3,2-g]chromene-6-carboxylate3-(ethoxycarbonyl)psoralen7H-Furo[3,2-g][1]benzopyran-6-carboxylic acid, 7-oxo-, ethyl ester7H-Furo(3,2-g)(1)benzopyran-6-carboxylic acid, 7-oxo-, ethyl ester
物性
構造計算による物性
- XLogP
- 2.7
- 極性表面積
- 65.7 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 5
- 回転可能結合数
- 3
- 重原子数
- 19
- 形式電荷
- 0
- 複雑度
- 428
実験および物理化学的性質
Solubilityless than 1 mg/mL at 66 °F (NTP, 1992)
Physical Description3-carbethoxypsoralen is a yellow powder. (NTP, 1992)
物理化学的性質
- 融点
- 148 · 148-149 °C
- 沸点
- 437.3 · 437.3±45.0 °C(Predicted)
- 比重(密度)
- 1.387 · 1.387±0.06 g/cm3(Predicted)
- 貯蔵温度
- -20 °C · Store at -20°C
- 溶解性
- Soluble in DMSO
- 外見
- Solid
- 色
- White to yellow
- EPAの化学物質情報
- 3 · 3-Carbethoxypsoralen (20073-24-9)
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。
危険有害性情報
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity Profile3-CARBETHOXYPSORALEN is sensitive to exposure to light. (NTP, 1992)
Air and Water ReactionsInsoluble in water.
安全と保護具
Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
化学と産業
応用分野
一般的な説明Yellow powder.
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