Chemical Name: PENITREM A
Molecular Formula: C37H44ClNO6
Molecular Weight: 634.2
InChI Key: JDUWHZOLEDOQSR-JKPSMKLGSA-N
InChI: InChI=1S/C37H44ClNO6/c1-15(2)28-27(40)31-37(45-31)23(43-28)9-10-33(6)34(7)18(8-11-35(33,37)41)29-25-24-21(39-30(25)34)14-20(38)17-12-16(3)19-13-22(32(4,5)44-29)36(19,42)26(17)24/h14,18-19,22-23,27-29,31,39-42H,1,3,8-13H2,2,4-7H3/t18-,19+,22+,23-,27-,28+,29-,31+,33+,34+,35-,36+,37-/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

Symbol:	Danger
FW:	634.201
Density:	1.4±0.1 g/cm3
CAS:	12627-35-9
Bolling_Point:	N/A
Product_Name:	PENITREM A
Melting_Point:	N/A
Flash_Point:	N/A
MF:	C37H44ClNO6

Molecular_Structure:	['1 . Molar refractive index 16977 ', '2 . Molar volume （m3/mol）4403 ', '3 . Parachor （902K）12720 ', '4 . Surface tension 696 ', '5 . Polarizability （10 -24cm 3）6730']
LogP:	6.46
Refractive_Index:	1.698
FW:	634.201
Density:	1.4±0.1 g/cm3
Computational_Chemistry:	['1 . XlogP 38 ', '2 . Hydrogen Bond Donor Count 4 ', '3 . Hydrogen Bond Acceptor Count 6 ', '4 . Rotatable Bond Count 1 ', '5 . TPSA 108 ', '6 . Heavy Atom Count 45 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 1420 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 12 ', '11 . Undefined Atom Stereocenter Count 1 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
PSA:	107.47000
Exact_Mass:	633.285706
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）无可用 ', '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）无可用 ', '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']
MF:	C37H44ClNO6

Hazard_Codes:	T+: Very toxic;
Symbol:	Danger
Packing_Group:	II
Hazard_Class:	6.1(a)
Warning_Statement:	P260-P264-P280-P284-P302 + P350-P310
Personal_Protective_Equipment:	Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges
RTECS:	RY7535000
Risk_Statements(EU):	R26/27/28
Safety_Statements:	S45;S36/S37/S39
RIDADR:	UN 2811 6