CAS 614-47-1 Chalcone (HCID 637760)

名称と識別子

優先名称: Chalcone
IUPAC: (E)-1,3-diphenylprop-2-en-1-one
現地名: (2E)-1,3-ジフェニル-2-プロペン-1-オン
英語名: trans-Chalcone
分子式: C15H12O
分子量: 208.26

名称と別名

Chalcone94-41-7BenzalacetophenoneBenzylideneacetophenoneChalkonePhenyl styryl ketoneCinnamophenone1,3-DIPHENYL-2-PROPEN-1-ONE(E)-1,3-diphenylprop-2-en-1-oneStyryl phenyl ketone3-Phenylacrylophenonebeta-Benzoylstyrene

名称をさらに表示

フェニル[(E)-スチリル]ケトン(E)-1,3-ジフェニル-2-プロペン-1-オンtrans-カルコン(E)-α-ベンジリデンアセトフェノン(αE)-β-フェニルアクリロフェノンフェニル[(E)-2-フェニルエテニル]ケトン(E)-カルコン(2E)-1,3-ジフェニル-2-プロペン-1-オン(E)-1,3-ジフェニル-1-プロペン-3-オン(E)-1-フェニル-2-ベンゾイルエテン[(E)-スチリル]フェニルケトン(2E)-1,3-ジ(フェニル)-2-プロペン-1-オン(βE)-β-フェニルアクリロフェノン(E)-β-フェニルアクリロフェノン(2E)-1,3-ジフェニルプロパ-2-エン-1-オン(E)-CHALCONEcone1,3-DIPHENYL-2-PROPENONE(2E)-1,3-DIPHENYLPROP-2-EN-1-ONE2-Propen-1-one, 1,3-diphenyl-, (E)-

2-Propen-1-one, 1,3-diphenyl-Benzylidene acetophenonebeta-PhenylacrylophenonePhenyl 2-phenylvinyl ketoneBenzylidenecetophenonealpha-Benzylideneacetophenone1,3-diphenylprop-2-en-1-onePhenyl (E)-2-phenylethenyl ketone

データベース識別子

CAS: 614-47-1、94-41-7
PubChem CID: 637760
DTXSID: DTXSID20873536
ChEMBL: CHEMBL7976
ChEBI: CHEBI:27618
UNII: 5S5A2Q39HX
EC Number: 202-330-2、210-383-8
Nikkaji: J151.129G、J4.699J

物性

構造計算による物性

XLogP: 3.1
極性表面積: 17.1 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 3
重原子数: 16
形式電荷: 0
複雑度: 242

実験および物理化学的性質

LogP4.018

Boiling Point346.50 °C. @ 760.00 mm Hg

Melting Point57.5 °C

Vapor Pressure0.000107 [mmHg]

Physical Description · 2 件

Yellow powder; [Alfa Aesar MSDS]

Solid

Kovats Retention Index1970.6

物理化学的性質

融点: 55 · 55-59 °C
沸点: 208 °C25 · 208 °C25 mm Hg(lit.)
比重(密度): 1.0712 · 1.0712
屈折率: 1.5361 · 1.5361 (estimate)
闪点: 230 °F · >230 °F
貯蔵温度: Sealed in dry,Room Temperature
溶解性: クロロホルム（わずかに）
外見: 個体
色: ペールイエロー
臭い (Odor): 100 %で。フローラルバルサムハーブ · 100.00%で。フローラルバルサムハーブ
においのタイプ: 花柄
水溶解度: クロロホルム、エーテル、ベンゼン、エタノールにわずかに溶ける。水に不溶。
Merck: 14 · 14,2037
BRN: 509985 · 509985
InChI: 1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+
InChIKey: DQFBYFPFKXHELB-VAWYXSNFSA-N
SMILES: [H]\C(=C(\[H])C(=O)c1ccccc1)c2ccccc2
LogP: 4.013 · 4.013 (est)
CAS データベース: 614 · 614-47-1(CAS DataBase Reference)
NISTの化学物質情報: Benzalacetophenone(614-47-1)

化学的性質

化学的特性Trans-Chalcone is a yellowish crystals. M.P. 58℃. (trans-isomer). M .P. 46℃. (cis-isomer).Sp.Gr. 1.07 (liquid).Insoluble in water, soluble in alcohol (poorly) and oils.

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 72 reports by companies from 5 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.

This chemical does not meet GHS hazard criteria for 11.1% (5 of 45) of reports.

危険有害性情報

Regulatory Information · 2 件

Chemical: 2-Propen-1-one, 1,3-diphenyl-

2-Propen-1-one, 1,3-diphenyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 件

Causes other liver changes and multiple enzyme effects in acute intraperitoneal studies of mice; Oral lethal-dose (rat) > 500 mg/kg; [RTECS] A skin irritant; [Merck Index] A skin and strong eye irritant; Toxic by ingestion; [Alfa Aesar MSDS]

Hazard Classes and Categories · 2 件

Acute Tox. 4 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Acute Tox. 4 (86.7%)；Eye Irrit. 2 (88.9%)；STOT SE 3 (86.7%)

法規制情報

Regulatory Information · 2 件

Chemical: 2-Propen-1-one, 1,3-diphenyl-

2-Propen-1-one, 1,3-diphenyl-: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk: 3
rtecs: UD5576750
hs_code: 29143990
risk_code: 22-36/37
hazard_code: Xn,Xi
safety_code: 22-36/37/39-45
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

薬理情報

Cellular LocationsMembrane

用途と製造

UsesNatural aromatic ketone utilized for the biosynthesis of flavones and as a template for bioactive substances known as chalcones; [Merck Index]

General Manufacturing Information2-Propen-1-one, 1,3-diphenyl-: ACTIVE

応用分野 · 3 件

説明trans-Chalcone is an open chain flavonoid that may prevent lung and forestomach cancer.

使用trans-Chalcone is a positive allosteric modulator of α7 nicotinic acetylcholine receptors and exhibits antioxidant activity.

一般的な説明trans-Chalcone is an open chain flavonoid that may prevent lung and forestomach cancer.

調製方法

製造方法trans-Chalcones have been obtained in good yields and selectivities following an environmentally friendly methodology by using montmorillonite KSF as a reusable heterogeneous catalyst.Clay-catalysed solventless synthesis of trans-chalcones

上流・下流製品情報

上流原料

下流製品

α-ナフトフラボンカルコン 3,5-ジフェニル-1H-ピラゾール 3-フェニルインダン-1-オン 2,4,6-トリフェニルピリジン 1,3,5-トリフェニルベンゼン β-フェニルプロピオフェノン N'-(1,3-diphenyl-2-propen-1-ylidene)benzohydrazide

サプライヤー100 社

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]

上海伟聂化工科技有限公司13046668259 · [email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]

化合物ノート

読み込み中…

(2E)-1,3-ジフェニル-2-プロペン-1-オン

基本情報