4-(2-Phenylethynyl)benzoic acid
Grundinformationen
- CAS
25739-23-5- Standard-SMILES
O=C(O)c1ccc(C#Cc2ccccc2)cc1- InChIKey
OGZUGPOTBGMCLE-UHFFFAOYSA-N- Summenformel
- C15H10O2
- Durchschnittliche Molmasse
- 222,24 g/mol
- Monoisotopische Masse
- 222,06807956
Namen und Bezeichner
- Bevorzugter Name
- 4-(2-Phenylethynyl)benzoic acid
- IUPAC
- 4-(2-phenylethynyl)benzoic acid
- Englischer Name
- 4-Phenylethynyl-benzoic acid
- Summenformel
- C15H10O2
- Molmasse
- 222.24
Namen und Synonyme
4-(2-phenylethynyl)benzoic AcidRefChem:512737801-532-34-(phenylethynyl)benzoic acid25739-23-54-Phenylethynyl-benzoic acid4-phenylethynylbenzoic acidMFCD00438677RARECHEM AL BO 16524-(2-Phenylethynyl)-benzoic acidBenzoic acid, 4-(phenylethynyl)-4-(phenylethynyl)benzoicacid
Weitere Namen anzeigen
Albb-005706AKOS B025059ART-CHEM-BB B0250595,6-dihydro-7H-thieno[3,2-b]pyran-7-one·?Benzoic acid, 4-?(2-?phenylethynyl)?-
4-phenylethynyl benzoic acidAKOS BAR-2464SCHEMBL240832SCHEMBL402518SCHEMBL5497692SCHEMBL6514875CHEMBL3548948DTXSID80401793
Datenbank-Bezeichner
- CAS
25739-23-5- PubChem CID
- 4308903
- DTXSID
DTXSID80401793- ChEMBL
CHEMBL3548948- EC Number
- 801-532-3
- Nikkaji
- J706.836K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,5
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 319
Physikochemische Eigenschaften
- Schmelzpunkt
- 220.5 · 220.5-221.0 °C(Solv: ethanol (64-17-5))
- Siedepunkt
- 407.3 · 407.3±28.0 °C(Predicted)
- Dichte
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.08 · 4.08±0.10(Predicted)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；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, P302+P352, P304+P340, P305+P351+P338, 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 2 reports by companies from 2 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.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- hs_code
- 2916399090
- hazard_class
- IRRITANT
Chemie und Industrie
Anwendungen
Verwenden4-(Phenylethynyl)benzoic Acid is a reagent in the preparation og hGPR54 agonists which may be used in the modulation of testosterone levels in male mammals.
Anbieter53 Anbieter
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海君悦生物科技有限公司021-51370612 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
苏州苏凯路化学科技有限公司0512-0512-62766020 15995735907 · [email protected]
Shanghai Scibiotron Pharmaceutical Co., Ltd+86-16621589600 · [email protected]
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
Shenzhen Excellent Biotech Co., Ltd.13480692018 · [email protected]
上海熙誉化学科技有限公司021-15000143735 15221126179 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
AN PharmaTech Co Ltd86(21)68097365 · [email protected]
上海高蹈医药科技有限公司021-15001867143 15001867143 · [email protected]
成都赛诺宁科技有限公司28-87999436 02887999436 · [email protected]
郑州阿尔法化工有限公司0371-53765687 18937137882 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
合肥启明医药科技有限公司15105695099
上海鑫矽新材料有限公司13585834793 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
上海琼燕医药科技有限公司086-021-15821262312 15821262312 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
北京沃凯生物科技有限公司010-62971590 18548936886 · [email protected]
北京迈瑞达科技有限公司010-82387566 · [email protected]
上海濮皓化学科技有限公司13761817188 · [email protected]
Changzhou Ansciep Chemical Co., Ltd.+86 519 86305871 · [email protected]
常州新星联生物科技有限公司+86-0519-85551759 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海康恩博医药科技有限公司17510465506 · [email protected]
郑州艾克姆化工有限公司13303867194 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海有集材料有限公司13052376889 13681663468 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
苏州浩恒新材料有限公司15052381896; 15052381896 · [email protected]
SHANGHAI YOUNG-CHEM CHEMICAL CO., LTD.13817489192 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +8619957148339 · [email protected]
上海泰坦企业发展有限公司16621224781 · [email protected]
上海锐谱医药科技有限公司15895968936 · [email protected]
南京沃格尼化工有限公司15996452985 · [email protected]
Zugehörige Reaktionen
13
Notizen zur Verbindung
Wird geladen…