1-[(1S)-1-phenylethyl]pyrrole-2,5-dione

Catalog No: FT-0774339

CAS No: 60925-76-0

Chemical Name: 1-[(1S)-1-phenylethyl]pyrrole-2,5-dione
Molecular Formula: C12H11NO2
Molecular Weight: 201.22
InChI Key: PWZXUQWQRVKGAH-VIFPVBQESA-N
InChI: InChI=1S/C12H11NO2/c1-9(10-5-3-2-4-6-10)13-11(14)7-8-12(13)15/h2-9H,1H3/t9-/m0/s1

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

CAS:	60925-76-0
MF:	C12H11NO2
Density:	1.244g/cm3
Flash_Point:	113ºC
Melting_Point:	33-35ºC(lit.)
Product_Name:	1-[(1S)-1-phenylethyl]pyrrole-2,5-dione
Symbol:	GHS07
Bolling_Point:	335.9ºC at 760 mmHg
FW:	201.22100

MF:	C12H11NO2
Density:	1.244g/cm3
Computational_Chemistry:	['1. XlogP :14 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 374 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :285 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :1 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
More_Info:	['1 . Appearance 无可用 ', '2 . Density（g/mL,25/4℃）无可用 ', '3 . Relative vapor density（g/mL,Atmosphere =1）无可用 ', '4 . Melting point（ºC）33-35 ', '5 . Boiling point（ºC,Atmospheric pressure）无可用 ', '6 . Boiling point（ºC,52kPa）无可用 ', '7 . Refractive index无可用 ', '8 . Flash point（ºC）113 ', '9 . Specific rotation（º）无可用 ', '10 . Spontaneous ignition point or ignition temperature（ºC）无可用 ', '11 . Vapor pressure（kPa,25ºC）无可用 ', '12 . Saturated vapor pressure（kPa,60ºC）无可用 ', '13 . Combustion heat（KJ/mol）无可用 ', '14 . Critical temperature（ºC）无可用 ', '15 . Critical pressure（KPa）无可用 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 无可用 ', '17 . Upper limit of explosion（%,V/V）无可用 ', '18 . Lower limit of explosion（%,V/V）无可用 ', '19 . Solubility 无可用']
Exact_Mass:	201.07900
Flash_Point:	113ºC
PSA:	37.38000
Molecular_Structure:	['1 疏水参数计算参考值（XlogP）14 ', '2 氢键供体数量0 ', '3 氢键受体数量2 ', '4 可旋转化学键数量2 ', '5 拓扑分子极性表面积（TPSA）374 ', '6 重原子数量15 ', '7 表面电荷0 ', '8 复杂度285 ', '9 同位素原子数量0 ', '10 确定原子立构中心数量1 ', '11 不确定原子立构中心数量0 ', '12 确定化学键立构中心数量0 ', '13 不确定化学键立构中心数量0 ', '14 共价键单元数量1']
LogP:	1.61050
Bolling_Point:	335.9ºC at 760 mmHg
FW:	201.22100
Refractive_Index:	1.605
Melting_Point:	33-35ºC(lit.)

Personal_Protective_Equipment:	Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Symbol:	GHS07
Safety_Statements:	26-36
Warning_Statement:	P261-P305 + P351 + P338
Hazard_Codes:	Xi
HS_Code:	2925190090
RIDADR:	NONH for all modes of transport
Risk_Statements(EU):	36/37/38