AG0035YT

4021-50-5 | 4-[(Trifluoromethyl)thio]benzaldehyde

AG0035YT

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CAS Number	4021-50-5
Catalog Number	AG0035YT(AGN-PC-0KKYII)
Chemical Name	4-[(Trifluoromethyl)thio]benzaldehyde
IUPAC Name	4-(trifluoromethylsulfanyl)benzaldehyde
InChI	InChI=1S/C8H5F3OS/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-5H
InChI Key	OPAXHVNZGUGCKW-UHFFFAOYSA-N
MDL Number	MFCD00129191
Molecular Formula	C8H5F3OS
Molecular Weight	206.1849
SMILES	FC(SC1=CC=C(C=O)C=C1)(F)F
Synonyms	4021-50-5, 4-(Trifluoromethylthio)benzaldehyde, 4-((Trifluoromethyl)thio)benzaldehyde, 4-[(trifluoromethyl)sulfanyl]benzaldehyde, 4-[(trifluoromethyl)thio]benzaldehyde, MFCD00129191, 4-((Trifluoromethyl)sulfanyl)benzaldehyde, Benzaldehyde, 4-[(trifluoromethyl)thio]-, ACMC-1AGRC, AC1MCS0S, AC1Q4KJA, AC1Q4KJ9, KSC582M6P, SCHEMBL833952, 4-trifluomethylthio benzoldehyde, RARECHEM GT HW 0381, CTK4I2667, DTXSID90380681, OPAXHVNZGUGCKW-UHFFFAOYSA-N, ACT01167, ZINC2582088, ANW-29325, BBL100532, SBB093623, STL554326, 4-trifluoromethylsulfanyl-benzaldehyde, 4-(trifluoromethylsulfanyl)benzaldehyde, AKOS005254548, ACN-050970, AM62291, AS02780, CM12021, FS-4245, MCULE-5650647000, KS-000010E5, TRA-0177625, Benzaldehyde,4-[(trifluoromethyl)thio]-, 4-(Trifluoromethylthio)benzaldehyde, 90%, AJ-43075, BR-53687, 4-[(trifluoromethyl)sulphanyl]benzaldehyde, AB0010949, TL8002915, TR-016057, FT-0617326, ST24028719, ST50825544, EN300-23909, A-3516, 4-trifluoromethylthiobenzaldehyde, C8H5F3OS, 4-trifluomethylthio benzoldehye, ZINC02582088, CID2777846, T2405,

Complexity	173
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	206.001g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	206.182g/mol
Monoisotopic Mass	206.001g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	42.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

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

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