CAS No.37076-68-9,TEGAFUR Suppliers

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Basic Information

Molecular Structure:
CAS No.:	37076-68-9
Name:	TEGAFUR
Article Data:	4

Formula:	C₈H₉FN₂O₃
Molecular Weight:	200.169
Synonyms:	2,4(1H,3H)-Pyrimidinedione,5-fluoro-1-(tetrahydro-2-furanyl)-, (R)-;(R)-Ftorafur;NSC 200695;5-fluoro-1-(tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione;2,4(1H,3H)-pyrimidinedione, 5-fluoro-1-(tetrahydro-2-furanyl)-;5-fluoro-1-(tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione;Carzonal;N1-(2'-Furanidyl)-5-fluorouracil;Tegafur;
EINECS:	241-846-2
Density:	1.45 g/cm³
Melting Point:	171-173 °C(lit.)
Solubility:	28.02g/L(37 oC)
Hazard Symbols:	T
Risk Codes:	23/24/25
Safety:	22-36/37/39-45
Transport Information:	UN 2811 6.1/PG 2
PSA:	64.09000
LogP:	-0.01530

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- China (Mainland)(23)
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Specification

The 2,4(1H,3H)-Pyrimidinedione,5-fluoro-1-[(2R)-tetrahydro-2-furanyl]-, with the CAS registry number 37076-68-9 and EINECS registry number 241-846-2, has the systematic name of 5-fluoro-1-(tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione. It belongs to the product category of API's. And the molecular formula of the chemical is C₈H₉FN₂O₃. What's more, it should be stored at 2-8°C.

The characteristics of 2,4(1H,3H)-Pyrimidinedione,5-fluoro-1-[(2R)-tetrahydro-2-furanyl]- are as followings: (1)ACD/LogP: -0.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.77; (4)ACD/LogD (pH 7.4): -0.81; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9.03; (8)ACD/KOC (pH 7.4): 8.23; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 49.85 Å²; (13)Index of Refraction: 1.557; (14)Molar Refractivity: 44.28 cm³; (15)Molar Volume: 137.4 cm³; (16)Polarizability: 17.55×10^-24cm³; (17)Surface Tension: 51.1 dyne/cm; (18)Density: 1.45 g/cm³.

You should be cautious while dealing with this chemical. It is toxic by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Do not breathe dust; Wear suitable protective clothing, gloves and eye/face protection, and in case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC=1C(=O)NC(=O)N(C=1)C2OCCC2
(2)InChI: InChI=1/C8H9FN2O3/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12/h4,6H,1-3H2,(H,10,12,13)
(3)InChIKey: WFWLQNSHRPWKFK-UHFFFAOYAE