CAS 83846-85-9 Methanone, (4-((4-methylphenyl)thio)phenyl)phenyl- (HCID 174341)

基本情報

CAS: 83846-85-9
標準SMILES: Cc1ccc(Sc2ccc(C(=O)c3ccccc3)cc2)cc1
InChIKey: DBHQYYNDKZDVTN-UHFFFAOYSA-N
分子式: C20H16OS
平均分子量: 304.4 g/mol
単同位体質量: 304.0921863

名称と識別子

優先名称: Methanone, (4-((4-methylphenyl)thio)phenyl)phenyl-
IUPAC: [4-(4-methylphenyl)sulfanylphenyl]-phenylmethanone
現地名: 4-ベンゾイル 4'-メチルジフェニルスルフィド
英語名: 4-(4-Methylphenylthio)benzophenone
分子式: C20H16OS
分子量: 304.41

名称と別名

83846-85-94-(4-Methylphenylthio)benzophenone4-benzoyl-4'-methyldiphenyl sulfideMethanone, [4-[(4-methylphenyl)thio]phenyl]phenyl-EINECS 281-064-9DTXSID10888614Methanone, (4-((4-methylphenyl)thio)phenyl)phenyl-RefChem:811653DTXCID901027890Methanone, 4-(4-methylphenyl)thiophenylphenyl-281-064-9Phenyl(4-(p-tolylthio)phenyl)methanone

名称をさらに表示

4-ベンゾイル 4'-メチルジフェニルスルフィド4-(p-トリルチオ)ベンゾフェノン[4-[(4-メチルフェニル)チオ]フェニル]フェニルメタノン4-[(4-メチルフェニル)チオ]ベンゾフェノン4-(4-メチルフェニルチオ)ベンゾフェノンクアンタクレDMS4-ベンゾイル4'-メチルジフェニルスルフィド4-ベンゾイル-4'-メチルジフェニルスルフィドフェニル(4-(p-トリル)チオフェニル)メタノン{4-[(4-メチルフェニル)スルファニル]フェニル}(フェニル)メタノンOMNIRAD BMSAPi-BMSYF-PI BMSIHT-PI BMSSYNCURE BMSKayacure BMSSPEEDCURE BMSSPEEDCURE BMDSQuantacure BMSQuantacure DMS

4-(p-Tolylthio)benzophenone4-Benzoyl 4'-Methyldiphenyl Sulfide{4-[(4-methylphenyl)sulfanyl]phenyl}(phenyl)methanone[4-(4-methylphenyl)sulfanylphenyl]-phenylmethanone4-Methyl-4'-benzoyldiphenyl sulfideMFCD00055651{4-[(4-Methylphenyl)thio]phenyl}(phenyl)methanonePhenyl (p-tolylthio)phenyl ketone

データベース識別子

CAS: 83846-85-9
PubChem CID: 174341
DTXSID: DTXSID10888614
EC Number: 281-064-9
Nikkaji: J208.132F

物性

構造計算による物性

XLogP: 5.9
極性表面積: 42.4 Å²
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: 4
重原子数: 22
形式電荷: 0
複雑度: 345

物理化学的性質

融点: 73 °C · 73 °C
沸点: 477.8 · 477.8±28.0 °C(Predicted)
比重(密度): 1.2 · 1.20±0.1 g/cm3(Predicted)
蒸気圧: 0.001 Pa · 0.001Pa at 25℃
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: クロロホルム（微量）、酢酸エチル（微量）、メタノール（微量）
外見: 個体
色: ホワイトからオフホワイト
水溶解度: 7.38 μg/L · 7.38μg/L at 20℃
InChI: InChI=1S/C20H16OS/c1-15-7-11-18(12-8-15)22-19-13-9-17(10-14-19)20(21)16-5-3-2-4-6-16/h2-14H,1H3
InChIKey: DBHQYYNDKZDVTN-UHFFFAOYSA-N
SMILES: C(C1=CC=C(SC2=CC=C(C)C=C2)C=C1)(C1=CC=CC=C1)=O
LogP: 5.89 at · 5.89 at 30℃
CAS データベース: 83846 · 83846-85-9(CAS DataBase Reference)
NISTの化学物質情報: Quantacure bms(83846-85-9)
EPAの化学物質情報: 4 · Methanone, [4-[(4-methylphenyl)thio]phenyl]phenyl- (83846-85-9)

化学的性質

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302+H312 (45.9%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]

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, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 61 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 4 件

Chemical: Methanone, [4-[(4-methylphenyl)thio]phenyl]phenyl-

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

REACH registered substance: 4-(4-methylphenylthio)benzophenone (EC: 281-064-9)

Methanone, 4-(4-methylphenyl)thiophenylphenyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (77%)

安全データ

tsca: TSCA listed
hs_code: 2930909899
risk_code: 22-36/37/38
化審法: (4)-1779
hazard_code: Xn
safety_code: 22-26-36/37/39

化学と産業

用途と製造

General Manufacturing InformationMethanone, [4-[(4-methylphenyl)thio]phenyl]phenyl-: ACTIVE

応用分野

使用A reagent for high performance polymer research.

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]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

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

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

化合物ノート

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