AG00I5EE

29091-09-6 | 2,4-Dichloro-1,3-dinitro-5-(trifluoromethyl)benzene

AG00I5EE

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CAS Number	29091-09-6
Catalog Number	AG00I5EE(AGN-PC-0JM0NS)
Chemical Name	2,4-Dichloro-1,3-dinitro-5-(trifluoromethyl)benzene
EC Number	249-420-8
IUPAC Name	2,4-dichloro-1,3-dinitro-5-(trifluoromethyl)benzene
InChI	InChI=1S/C7HCl2F3N2O4/c8-4-2(7(10,11)12)1-3(13(15)16)5(9)6(4)14(17)18/h1H
InChI Key	DPQYRXNRGNLPFC-UHFFFAOYSA-N
MDL Number	MFCD00042480
Molecular Formula	C7HCl2F3N2O4
Molecular Weight	304.9950
SMILES	[O-][N+](=O)c1cc(c(c(c1Cl)[N+](=O)[O-])Cl)C(F)(F)F
UNII	UPF413436J
Synonyms	2,4-Dichloro-3,5-dinitrobenzotrifluoride, 29091-09-6, 2,4-Dichloro-1,3-dinitro-5-(trifluoromethyl)benzene, Benzene, 2,4-dichloro-1,3-dinitro-5-(trifluoromethyl)-, UNII-UPF413436J, 2,4-Dichloro-3,5-dinitro benzotrifluoride, UPF413436J, MFCD00042480, 2,4-CHLORO-3,5-DINITROBENZOTRIFLUORIDE, W-107006, benzene, 2,4-dichloro-1,3-dinitro-5-(trifluoromethyl), C7HCl2F3N2O4, EINECS 249-420-8, PubChem5443, AC1Q4JIS, EC 249-420-8, DSSTox_CID_24639, DSSTox_RID_80369, DSSTox_GSID_44639, KSC925A8L, AC1L3S50, SCHEMBL2054426, CHEMBL3185425, DTXSID7044639, CTK8C5085, DPQYRXNRGNLPFC-UHFFFAOYSA-N, ZINC2168652, ZX-AP004598, Tox21_302530, ANW-74026, PC2395, SBB063991, AKOS015889877, AS04669, MCULE-8427935603, PF10189, RTR-012723, VZ22493, KS-0000101P, NCGC00256855-01, AC-13855, AJ-33895, AS-12566, CC-07313, CJ-07882, CJ-33513, SY019186, 2,4-dichloro-3,5-dinitro-benzotrifluoride, AX8010613, CAS-29091-09-6, A5535, D3315, FT-0610002, ST50827074, K-7140, 091D096, C-19002, 1,3-dichloro-2,6-dinitro-4-trifluoromethylbenzene, I01-3571, 2,4-dichloro-1,3-dinitro-5-(trifluoromethyl)-benzene, 2,4-Dichloro-3,5-dinitrobenzotrifluoride, AldrichCPR, 2-(3-(1H-benzo[d]imidazol-2-yl)phenyl)-1H-benzo[d]imidazole, 2,4-DICHLORO-ALPHA,ALPHA,ALPHA-TRIFLUORO-3,5-DINITROTOLUENE, C7-H-Cl2-F3-N2-O4, 1,3-bits(2-benzimidazolyl)benzene, CID94398, AR-1D3471, ZINC02168652, 2,4-dichloro-3,5-dinitrotrifluorotoluene, 2,4-Dichloro-3,5-dinitrobenzotrifluoride, 99% - 25G 25g, 29914-81-6,

Complexity	356
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	303.927g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	304.99g/mol
Monoisotopic Mass	303.927g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	91.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335-H400-H410
Packing Group
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code	\N

Certificate of Analysis

Lot Number