AG00I7V7

401-93-4 | Benzene, 1-chloro-3-nitro-5-(trifluoromethyl)-

AG00I7V7

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CAS Number	401-93-4
Catalog Number	AG00I7V7(AGN-PC-0JKXL2)
Chemical Name	Benzene, 1-chloro-3-nitro-5-(trifluoromethyl)-
IUPAC Name	1-chloro-3-nitro-5-(trifluoromethyl)benzene
InChI	InChI=1S/C7H3ClF3NO2/c8-5-1-4(7(9,10)11)2-6(3-5)12(13)14/h1-3H
InChI Key	ZQXCQTAELHSNAT-UHFFFAOYSA-N
MDL Number	MFCD03412202
Molecular Formula	C7H3ClF3NO2
Molecular Weight	225.5524
SMILES	FC(C1=CC([N+]([O-])=O)=CC(Cl)=C1)(F)F
Synonyms	3-chloro-5-nitrobenzotrifluoride, 401-93-4, 1-chloro-3-nitro-5-(trifluoromethyl)benzene, 5-chloro-3-nitrobenzotrifluoride, 1-Chloro-3-nitro-5-trifluoromethyl-benzene, 1-chloro-3-nitro-5-benzotrifluoride, 1-Chloro-3-nitro-5-trifluoromethylbenzene, 3-Chloro-5-nitrobenotrifluoride, 3-chloro-1-nitro-5-(trifluoromethyl)benzene, 3-nitro-5-chlorobenzotrifluoride, MFCD03412202, BENZENE, 1-CHLORO-3-NITRO-5-(TRIFLUOROMETHYL)-, AK-35044, PubChem2162, AC1L18QQ, SCHEMBL1361857, CTK6G6418, ZQXCQTAELHSNAT-UHFFFAOYSA-N, WT342, ACT13142, KS-000024LO, ZINC1843521, ZX-AP004538, ACM401934, PC5062, SBB064197, AKOS005254566, AS05924, CM13232, CM13233, DS-0866, FCH1326586, PF10216, RP27603, VZ26672, 5-chloro-3-trifluoromethyl-nitrobenzene, AJ-31814, AN-44748, BR-35044, CC-14797, CJ-30060, SC-04259, 3-Chloro-5-trifluoromethyl-1-nitrobenzene, AB0024734, AX8010180, 401-93-4 3-chloro-5-nitrobenzotrifluoride, 4CH-002489, FT-0632092, ST24032217, W6060, 1-chloranyl-3-nitro-5-(trifluoromethyl)benzene, S-2235, 401C934, A824972, C-12792, J-512283, C7H3ClF3NO2, CHLOROTRIFLUORODINITROTOLUENE, 2,4-Diaminobenzotrifluoride.2HCl, CID50255, ACN-055925, 68849-24-1,

Complexity	228
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.98g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	225.551g/mol
Monoisotopic Mass	224.98g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H302-H315-H320-H335
Packing Group	Ⅲ
Precautionary statements	P264-P270-P301+P312-P330
UN Code	UN 1993

Certificate of Analysis

Lot Number