AG0036XK

653-37-2 | 2,3,4,5,6-Pentafluorobenzaldehyde

AG0036XK

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CAS Number	653-37-2
Catalog Number	AG0036XK(AGN-PC-0D2VJQ)
Chemical Name	2,3,4,5,6-Pentafluorobenzaldehyde
EC Number	211-502-6
IUPAC Name	2,3,4,5,6-pentafluorobenzaldehyde
InChI	InChI=1S/C7HF5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h1H
InChI Key	QJXCFMJTJYCLFG-UHFFFAOYSA-N
MDL Number	MFCD09032441
Molecular Formula	C7HF5O
Molecular Weight	196.0743
NSC Number	96967
SMILES	FC1=C(F)C(F)=C(C=O)C(F)=C1F
UNII	S9YIE3JZ4K
Synonyms	pentafluorobenzaldehyde, Pentafluorobenzaldehyde, 2,3,4,5,6-Pentafluorobenzaldehyde, 653-37-2, Perfluorobenzaldehyde, Benzaldehyde, pentafluoro-, Benzaldehyde, 2,3,4,5,6-pentafluoro-, UNII-S9YIE3JZ4K, EINECS 211-502-6, MFCD00003303, NSC 96967, S9YIE3JZ4K, QJXCFMJTJYCLFG-UHFFFAOYSA-N, Pentafluorobenzaldehyde, 98%, C7HF5O, pentafluor-benzaldehyd, PubChem4253, pentafluoro-benzaldehyde, ACMC-209nqh, AC1Q4N6E, SCHEMBL419449, AC1L2C58, AMBZ0209, DTXSID4022101, CTK3J2451, QJXCFMJTJYCLFG-UHFFFAOYSA-, 2,4,5,6-Pentafluorobenzaldehyde, Benzaldehyde, pentafluoro- (8CI), KS-00000V1A, NSC96967, ZINC1627094, 0004AC, ANW-35031, Benzaldehyde,3,4,5,6-pentafluoro-, KM0920, NSC-96967, SBB064698, STK400424, 2,3,4,5,6-pentafluoro-benzaldehyde, AKOS000119712, AM85865, AS05614, CM12008, CS-W004670, LS10303, MCULE-6997123489, RTR-022245, VZ33592, Benzaldehyde, pentafluoro- (8CI)(9CI), AJ-28404, AK-79104, AS-10000, CJ-05818, CJ-26207, LS-25136, SC-06087, 2,3,4,5,6-Pentafluorobenzaldehyde, 98%, AB0064058, DB-054801, TL8004643, TR-022245, FT-0632758, P0746, ST24027255, ST50308060, I01-5486, F0001-1755, InChI=1/C7HF5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h1H, Pentafluorobenzaldehyde 1kg, C7-H-F5-O, CID69558, AR-1K9918, P131, Pentafluorobenzaldehyde, 97% - 100G 100g, 74925-70-5,

Complexity	183
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.995g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	196.076g/mol
Monoisotopic Mass	195.995g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H315-H319-H411
Packing Group	Ⅲ
Precautionary statements	P273-P301+P310-P305+P351+P338
Signal Words	danger
UN Code	UN 2810

Certificate of Analysis

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