AG008VKI

1046462-99-0 | 4-Nitro-5-trifluoromethyl-1H-pyrazole

AG008VKI

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	1046462-99-0
Catalog Number	AG008VKI(AGN-PC-0WBACC)
Chemical Name	4-Nitro-5-trifluoromethyl-1H-pyrazole
IUPAC Name	4-nitro-5-(trifluoromethyl)-1H-pyrazole
InChI	InChI=1S/C4H2F3N3O2/c5-4(6,7)3-2(10(11)12)1-8-9-3/h1H,(H,8,9)
InChI Key	FFTRSILXQBIOTB-UHFFFAOYSA-N
MDL Number	MFCD04971110
Molecular Formula	C4H2F3N3O2
Molecular Weight	181.0728
SMILES	FC(C1=C([N+]([O-])=O)C=NN1)(F)F
Synonyms	4-nitro-5-(trifluoromethyl)-1H-pyrazole, 1046462-99-0, 4-Nitro-5-trifluoromethyl-1H-pyrazole, 4-nitro-3-(trifluoromethyl)-1H-pyrazole, 4-nitro-5-(trifluoromethyl)pyrazole, AC1OGE27, SCHEMBL5021112, SCHEMBL17459027, CTK5I4111, RD-19, ZINC4243631, MFCD04971110, SBB022508, STK312652, AKOS000311119, AKOS015922093, AKOS025394094, MCULE-2073172588, RT-017034, 4CH-004171, CS-0060155, ST45091751, K-0426, J-001214, J-515867, Z1694636532, ZINC04243631, CID7147390,

Complexity	189
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.01g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	181.074g/mol
Monoisotopic Mass	181.01g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	74.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number