AG0037AB

54-20-6 | 2-Chloro-4-methoxy-5-(trifluoromethyl)pyrimidine

AG0037AB

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CAS Number	54-20-6
Catalog Number	AG0037AB(AGN-PC-03W6ZY)
Chemical Name	2-Chloro-4-methoxy-5-(trifluoromethyl)pyrimidine
EC Number	200-197-5
IUPAC Name	5-(trifluoromethyl)-1H-pyrimidine-2,4-dione
InChI	InChI=1S/C5H3F3N2O2/c6-5(7,8)2-1-9-4(12)10-3(2)11/h1H,(H2,9,10,11,12)
InChI Key	LMNPKIOZMGYQIU-UHFFFAOYSA-N
MDL Number	MFCD00006024
Molecular Formula	C5H3F3N2O2
Molecular Weight	180.0847
NSC Number	73757
SMILES	FC(C=1C(NC(NC1)=O)=O)(F)F
UNII	4U846R5P34
Synonyms	5-TFMU, trifluoromethyluracil, 5-(Trifluoromethyl)uracil, 54-20-6, 5-Trifluoromethyluracil, 5-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione, Trifluoromethyluracil, 5-(Trifluoromethyl)pyrimidine-2,4-diol, 2,4(1H,3H)-Pyrimidinedione, 5-(trifluoromethyl)-, 5-TFMU, URACIL, 5-(TRIFLUOROMETHYL)-, UNII-4U846R5P34, 5-Trifluoromethyl-1H-pyrimidine-2,4-dione, 5-trifluoromethyl uracil, L 595725-0-1, EINECS 200-197-5, MFCD00006024, NSC 73757, 1171916-79-2, 5-(trifluoromethyl)-uracil, 5-(trifluoromethyl)-1H-pyrimidine-2,4-dione, LMNPKIOZMGYQIU-UHFFFAOYSA-N, NSC73757, 4U846R5P34, 5-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione, 5-(trifluoromethyl)-1,3-dihydropyrimidine-2,4-dione, Trifluorothymine, 97%, AC1L1LDL, 5-(trifluoromethyl) uracil, AC1Q6CH4, WLN: T6MVMVJ EXFFF, ACMC-1CL47, NCIOpen2_000624, SCHEMBL42449, CHEMBL405942, DTXSID40202304, HMS1664J14, BCP07550, KS-00000JH0, ZINC1036885, ANW-31997, BBL101944, CCG-50621, CT-542, NSC-73757, SBB089612, STL555741, 5-trifluoromethylpyrimidine-2,4-dione, AKOS005063375, AC-1199, AM83261, FS-1051, MCULE-7668786377, QC-8423, RP24114, AJ-24725, AK-28422, AN-15156, BC219551, BR-28422, Q086, ST079301, SY013886, ZB015674, AB1008746, LS-158706, 4CH-010550, FT-0619750, 2,3H)-Pyrimidinedione, 5-(trifluoromethyl)-, MFCD00006024 (97%), 54T206, S-4787, 16447-EP2281563A1, 16447-EP2316459A1, 5-(Trifluoromethyl)-2,4(1H,3H)-pyrimidinedione, 3S104890, 3S210879, 5-(Trifluoromethyl)-2,4(1H,3H)-pyrimidinedione #, I03-0186, SR-01000639984-1, W-105658, 1,2,3,4-Tetrahydropyrazin-2,4-dione, 5-trifluoromethyl-, 2,4(1H,3H)-Pyrimidinedione, 5-(trifluoromethyl)- (9CI), InChI=1/C5H3F3N2O2/c6-5(7,8)2-1-9-4(12)10-3(2)11/h1H,(H2,9,10,11,12, Trifluorothymine, Trifluoridine, 5-(trifluormethyl)uracil, C5H3F3N2O2, CID5899, C5-H3-F3-N2-O2, AR-1G5721, CS-M-02415, C2986, T1622, 2-chloro-4-methoxy-5-(trifluoromethyl)pyrimidine, F3T, TFT, 55652-71-6,

Complexity	268
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.015g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	180.086g/mol
Monoisotopic Mass	180.015g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	58.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

Lot Number