Basic information
- CAS
3516-95-8- Standard SMILES
O=C(CCc1ccccc1)c1ccccc1O- InChIKey
JCPGMXJLFWGRMZ-UHFFFAOYSA-N- Molecular formula
- C15H14O2
- Average molar mass
- 226.27 g/mol
- Monoisotopic mass
- 226.09937969
Overview
2'-hydroxy-3-phenylpropiophenone has been reported in Flindersia brassii and Peperomia obtusifolia with data available.
Names & identifiers
- Preferred name
- 2'-Hydroxy-3-phenylpropiophenone
- IUPAC
- 1-(2-hydroxyphenyl)-3-phenylpropan-1-one
- English name
- 2'-Hydroxy-3-phenylpropiophenone
- Molecular formula
- C15H14O2
- Molecular weight
- 226.27
Names & synonyms
2'-Hydroxy-3-phenylpropiophenone1-(2-Hydroxyphenyl)-3-phenylpropan-1-one1-Propanone, 1-(2-hydroxyphenyl)-3-phenyl-o-Hydroxy-beta-phenyl propiophenoneUNII-0VE7O0Z9NZEINECS 222-521-40VE7O0Z9NZ2'-hydroxydihydrochalconeo-Hydroxy-.beta.-phenyl propiophenoneDTXSID30746581-Propanone, 1-(2-hydroxyphenyl)-2-phenyl-JCPGMXJLFWGRMZ-UHFFFAOYSA-
Show more names
Propafenone Impurity APropafenone IMp. A (EP)Propafenone EP Impurity AHydroxy-3-phenylpropiophenPropafenone EP/BP Impurity Aβ-Phenyl-2-hydroxypropiophenone2-Hydroxy-3-Phenyl propiohenone2-HYDROXYLPHENYL PHENYL PROPONE2-Hydroxyphenyl-3-Propiophenone
.BETA.-PHENYL-2-HYDROXYPROPIOPHENONEPROPAFENONE HYDROCHLORIDE IMPURITY A [EP IMPURITY]PROPAFENONE HYDROCHLORIDE IMPURITY A (EP IMPURITY)RefChem:80352DTXCID7038949BETA-PHENYL-2-HYDROXYPROPIOPHENONEInChI=1/C15H14O2/c16-14-9-5-4-8-13(14)15(17)11-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2JCPGMXJLFWGRMZ-UHFFFAOYSA-N
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 243
Experimental & physicochemical properties
DrugsPharmaceuticals -> Metabolite of Propafenone
Physicochemical properties
- Melting point
- 36 · 36-37 °C(lit.)
- Boiling point
- 158 °C/2mmHg · 158°C/2mmHg(lit.)
- Density
- 1.15 · 1.150±0.06 g/cm3(Predicted)
- refractive index
- 20 · n20/D 1.5968(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Dichloromethane (Slightly), Ethyl Acetate (Slightly)
- pka
- 8.07 · 8.07±0.30(Predicted)
- form
- Solid
- color
- Off-White
- λmax
- 324 nm · 324nm(MeOH)(lit.)
- InChI
- InChI=1S/C15H14O2/c16-14-9-5-4-8-13(14)15(17)11-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 4% (8 of 199) of reports.
Warning
H302 (21.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 199 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 1-(2-hydroxyphenyl)-3-phenylpropan-1-one (EC: 222-521-4)
Hazard Classes and CategoriesAcute Tox. 4 (21.6%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2914390090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- REACH Registrations
Chemistry & industry
Applications
Uses2’-Hydroxy-3-phenylpropiophenone (Propafenone EP Impurity A; Propafenone BP Impurity A; Propafenone USP Impurity A) is a metabolite of Propafenone (P757500).
General Description2′-Hydroxy-3-phenylpropiophenone is a colorless to yellow liquid or solid. 2′-Hydroxy-3-phenylpropiophenone derivatives show antiarrhythmic,spasmolytic and local anaesthetic activities.
Upstream & downstream products
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
阜新孚隆宝医药科技有限公司15901742157 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Related reactions
6 records
Compound notes
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