Methotrexate


Catalog No:   FT-0601523

CAS No:   59-05-2

  • Molecular Formula:  454.4
  • Formula Weight: C20H22N8O5
  • Inchl Key: FBOZXECLQNJBKD-ZDUSSCGKSA-N
  • Inchl: InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1

Assay Pack Price Stock Action
98% 1g N/A N/A
98% 5g N/A N/A
98% Bulk Quantity N/A N/A
Symbol: GHS06, GHS08
CAS: 59-05-2
Flash_Point: 11 °C
Product_Name: Methotrexate
Bolling_Point: N/A
FW: 454.439
Melting_Point: 195°C
MF: C20H22N8O5
Density: 1.5±0.1 g/cm3
Refractive_Index: 1.738
LogP: -0.24
Water_Solubility: Insoluble.
FW: 454.439
PSA: 210.54000
Computational_Chemistry: ['1 计. XlogP -18 ', '2 . Hydrogen Bond Donor Count 5 ', '3 . Hydrogen Bond Acceptor Count 12 ', '4 . Rotatable Bond Count 9 ', '5 . Isotope Atom Count 24 ', '6 . TPSA 211 ', '7 . Heavy Atom Count 33 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 704 ', '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']
Melting_Point: 195°C
MF: C20H22N8O5
Exact_Mass: 454.171326
Molecular_Structure: ['五分子性质数据 ', '1 . Molar refractive index 11897 ', '2 . Molar volume (m3/mol)2956 ', '3 . Parachor (902K)9267 ', '4 . Surface tension 964 ', '5 . Polarizability (10 -24cm 3)4716']
Density: 1.5±0.1 g/cm3
More_Info: ['1 . Appearance Yellow 结晶。无臭。 ', '2 . Density(g/mL,25/4℃) Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC) Unknow ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC,52kPa)Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point(ºC) Unknow ', '9 . Specific rotation(º) Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(kPa,25ºC)Unknow ', '12 . Saturated vapor pressure(kPa,60ºC) Unknow ', '13 . Combustion heat(KJ/mol)Unknow ', '14 . Critical temperature(ºC)Unknow ', '15 . Critical pressure(KPa) Unknow ', '16 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient ', '17 . Upper limit of explosion(%,V/V)Unknow ', '18 . Lower limit of explosion(%,V/V)Unknow ', '19 . Solubility 易Soluble in 稀碱酸or 碱金属的碳酸盐溶液,微Soluble in 稀盐酸,几乎Insoluble in Water Ethanol 氯仿 Ethyl ether 。']
Symbol: GHS06, GHS08
RIDADR: UN 2811 6.1/PG 3
HS_Code: 2933990090
Flash_Point_(F): 51.8 °F
Flash_Point_(C): 11 °C
Hazard_Class: 6.1(b)
Risk_Statements(EU): R61;R25;R36/38
Packing_Group: III
WGK_Germany: 3
RTECS: MA1225000
Hazard_Codes: T:Toxic
Warning_Statement: P201-P280-P301 + P310 + P330-P305 + P351 + P338-P308 + P313-P337 + P313
Safety_Statements: H301-H315-H319-H340-H360

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