AG00342V

455-13-0 | 4-Iodobenzotrifluoride

AG00342V

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CAS Number	455-13-0
Catalog Number	AG00342V(AGN-PC-0JL86O)
Chemical Name	4-Iodobenzotrifluoride
EC Number	207-234-4
IUPAC Name	1-iodo-4-(trifluoromethyl)benzene
InChI	InChI=1S/C7H4F3I/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H
InChI Key	SKGRFPGOGCHDPC-UHFFFAOYSA-N
MDL Number	MFCD00039398
Molecular Formula	C7H4F3I
Molecular Weight	272.0063
SMILES	FC(F)(F)C1=CC=C(I)C=C1
Synonyms	4-Iodobenzotrifluoride, 455-13-0, 1-Iodo-4-(trifluoromethyl)benzene, p-Iodobenzotrifluoride, Benzene, 1-iodo-4-(trifluoromethyl)-, 4-Iodo-alpha,alpha,alpha-trifluorotoluene, 4-(Trifluoromethyl)iodobenzene, alpha,alpha,alpha-Trifluoro-4-iodotoluene, 4-iodobenzo trifluoride, 4-IODOBENZTRIFLUORIDE, 4-Iodobenzotrifluoride, 97%, 4-trifluoromethyl-1-iodobenzene, BUTTPARK 45\01-80, SKGRFPGOGCHDPC-UHFFFAOYSA-N, MFCD00039398, 4-IODO-1-TRIFLUOROMETHYLBENZENE, EINECS 207-234-4, 4 iodobenzotrifluoride, PubChem3563, 4-Iodobenzotrifluroide, p-iodo trifluoro toluene, AC1Q4JPR, p-trifluoromethyliodobenzene, 4-Trifluoromethyliodobenzene, AC1L28SN, AC1Q4J4U, SCHEMBL1616, 4-iodo-trifluoromethylbenzene, 4-trifluoromethyl-iodobenzene, 4-trifluoromethylphenyl iodide, 1-iodo-4-trifluoromethylbenzene, DTXSID0060012, CTK7B6690, SKGRFPGOGCHDPC-UHFFFAOYSA-, 1-Iodo-4-trifluoromethyl-benzene, ATTERCOP-CHM AT115829, ZINC167177, ACT13118, KS-000000MV, TE4028, 1-iodanyl-4-(trifluoromethyl)benzene, 1-Iodo-4-(trifluoromethyl)benzene #, AKOS005063756, AB01779, AC-4144, AS01032, CS-W004060, EBD2199778, PF10119, RP29650, VZ29255, AJ-16614, AK-25993, AN-12267, AS-11623, BR-25993, SC-04656, SY013671, ZB008773, TC-068567, TL8003160, AM20060279, FT-0081709, FT-0618784, I0550, ST24032809, MFCD00039398 (98%), M-4845, A826829, I01-1557, J-650046, W-106132, InChI=1/C7H4F3I/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H, C7H4F3I, P-IODOTRIFLUOROTOLUENE, C7-H4-F3-I, 6-Chloropyridine-3,4-diamine HCl, CID67993, AR-1L1002, 4-Iodobenzotrifluoride, 98% - 1G 1g, 1187830-92-7, 95445-79-7,

Complexity	124
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	271.931g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	272.009g/mol
Monoisotopic Mass	271.931g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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