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59-05-2

Name Methotrexate
CAS 59-05-2
EINECS(EC#) 200-413-8
Molecular Formula C20H22N8O5
MDL Number MFCD00064370
Molecular Weight 454.44
MOL File 59-05-2.mol

Chemical Properties

Appearance Methotrexate is an orange-brown crystalline powder.
Melting point  195°C
alpha  +17~+24°(D/20℃)(c=1,Na2CO3 soln.)(calculated on the dehydrous basis)
Boiling point  561.26°C (rough estimate)
density  1.4080 (rough estimate)
refractive index  1.6910 (estimate)
Fp  11℃
storage temp.  −20°C
solubility  H2O: insoluble
form  powder
pka pKa 3.04/4.99(H2O,t =25,I=0.0025) (Uncertain)
color  Light yellow to yellow
Stability: Stable, but light sensitive and hygroscopic. Incompatible with strong acids, strong oxidizing agents. Store at-15C or below.
Water Solubility  Insoluble. <0.1 g/100 mL at 19 ºC
Sensitive  Light Sensitive & Hygroscopic
Usage Used as a antineoplastic and antirheumatic. A folic Acid antagonist
Merck  5985
BRN  70669
BCS Class 3
InChIKey FBOZXECLQNJBKD-ZDUSSCGKSA-N
CAS DataBase Reference 59-05-2(CAS DataBase Reference)
IARC 3 (Vol. 26, Sup 7) 1987
NIST Chemistry Reference Methotrexate(59-05-2)
EPA Substance Registry System 59-05-2(EPA Substance)

Safety Data

Hazard Codes  T
Risk Statements 
R61:May cause harm to the unborn child.
R25:Toxic if swallowed.
R36/38:Irritating to eyes and skin .
Safety Statements 
S53:Avoid exposure-obtain special instruction before use .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
RIDADR  UN 2811 6.1/PG 3
WGK Germany  3
RTECS  MA1225000
3-8-10
TSCA  Yes
HazardClass  6.1(b)
PackingGroup  III
HS Code  29335900
Hazardous Substances Data 59-05-2(Hazardous Substances Data)
Toxicity
LD50 oral in rat: 135mg/kg

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