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Basic information
- CAS
93866-50-3- Standard SMILES
O=C(O)c1cccc(C#Cc2ccccc2)c1- InChIKey
YVBDUPNCTBINKB-UHFFFAOYSA-N- Molecular formula
- C15H10O2
- Average molar mass
- 222.243 g/mol
- Monoisotopic mass
- 222.06807956
Names & identifiers
- Preferred name
- 3-Phenylethynyl-benzoic acid
- IUPAC
- 3-(Phenylethynyl)benzoic acid
- English name
- 3-Phenylethynyl-benzoic acid
- Molecular formula
- C15H10O2
- Molecular weight
- 222.24
Names & synonyms
AKOS BAR-2465UKRORGSYN-BB BBV-20811063-Phenylethynyl-benzoic acid3-(2-Phenylethynyl)benzoic acidBENZOIC ACID, 3-(PHENYLETHYNYL)Benzoic acid, 3-(2-phenylethynyl)-
Database identifiers
- CAS
93866-50-3- PubChem CID
- 299283
- DTXSID
DTXSID70305832- ChEMBL
CHEMBL1834963- Nikkaji
- J2.104.980H
Properties
Physicochemical properties
- Melting point
- 160 · 160-161 °C(Solv: water (7732-18-5); ethanol (64-17-5))
- Boiling point
- 425.5 · 425.5±28.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 4.06 · 4.06±0.10(Predicted)
- Symbol(GHS)
- 5 · GHS05,GHS08
- Signal word
- Danger
- Hazard statements
- 314 · H314-H370-H372-H412-H290
- Precautionary statements
- 501 · P501-P273-P260-P270-P234-P264-P280-P390-P308+P311-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS08
- Hazard statements
- H314-H370-H372-H412-H290
- Precautionary statements
- P501-P273-P260-P270-P234-P264-P280-P390-P308+P311-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405
Chemistry & industry
Suppliers14 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Shanghai Scibiotron Pharmaceutical Co., Ltd+86-16621589600 · [email protected]
上海熙誉化学科技有限公司021-15000143735 15221126179 · [email protected]
合肥启明医药科技有限公司15105695099 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
上海琼燕医药科技有限公司086-021-15821262312 15821262312 · [email protected]
上海濮皓化学科技有限公司13761817188 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
天津中天新创科技有限公司13312191509 · [email protected]
常州新星联生物科技有限公司+86-0519-85551759 · [email protected]
SHANGHAI YOUNG-CHEM CHEMICAL CO., LTD.13817489192 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
上海信旗医药科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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