AG00109P

132123-54-7 | Benzaldehyde, 3,4,5-trifluoro-

AG00109P

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CAS Number	132123-54-7
Catalog Number	AG00109P(AGN-PC-0KKXW4)
Chemical Name	Benzaldehyde, 3,4,5-trifluoro-
IUPAC Name	3,4,5-trifluorobenzaldehyde
InChI	InChI=1S/C7H3F3O/c8-5-1-4(3-11)2-6(9)7(5)10/h1-3H
InChI Key	NLAVHUUABUFSIG-UHFFFAOYSA-N
MDL Number	MFCD00083523
Molecular Formula	C7H3F3O
Molecular Weight	160.0933
SMILES	O=CC1=CC(F)=C(F)C(F)=C1
Synonyms	3,4,5-Trifluorobenzaldehyde, 132123-54-7, Benzaldehyde, 3,4,5-trifluoro-, MFCD00083523, 3,4,5-Trifluoro-benzaldehyde, 3,4,5-TTRIFLUOROBENZALDEHYDE, AC1MCRCM, ACMC-209bon, AC1Q4LMK, Intermediates-ZCF02014, 3,4,5-triflourobenzaldehyde, 3,4,5-trifluorobrnzaldehyde, SCHEMBL48658, KSC182I0F, CTK0I2402, DTXSID90380308, NLAVHUUABUFSIG-UHFFFAOYSA-N, ACT11884, JRD-0610, ZINC2575049, 3,4,5-Trifluorobenzaldehyde, 97%, 3,4,5-Trifluorobenzaldehyde, 98%, ANW-19413, BBL028174, CL8293, CT-577, SBB063856, STL374068, AKOS004911140, AC-3862, AM61321, AN-6100, AS01491, CM12015, CS-W017942, LS10515, MCULE-9549542139, RTC-062305, TF10289, TRA0012482, KS-00000B20, AJ-42315, AK-41329, BC205321, BR-41329, CJ-10056, PS-10189, SC-00791, SY022934, AB0010991, DB-023720, TC-062305, 4CH-009523, C3348, FT-0614136, ST24028174, ST50824763, EN300-67516, C-5094, MFCD00083523 (97+%), 123T547, I01-3105, J-006126, Not Available, Ethyl 6-chloronicotinate, C7H3F3O, 6-chloronicotinic acid ethyl ester, Aldehyde trifluoro-3,4,5-benzoique, ethyl 2-chloro-5-pyridinecarboxylate, Ethyl 6-chloro-3-pyridinecarboxylate, Ethyl 6-chloropyridine-3-carboxylate, ZINC02575049, ACN-051410, CID2776954, Benzaldehyde, 3,4,5-trifluoro- (9CI), T2321, 3,4,5-Trifluorobenzaldehyde, 98% - 1G 1g, 6-CHLORO-3-PYRIDINECARBOXYLIC ACID ETHYL ESTER, 3-PYRIDINECARBOXYLIC ACID, 6-CHLORO-, ETHYL ESTER,

Complexity	139
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	160.014g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	160.095g/mol
Monoisotopic Mass	160.014g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H315-H319-H335-H360
Packing Group	Ⅲ
Precautionary statements	P201-P261-P301+P310-P305+P351+P338-P308+P313
UN Code	UN 2810

Certificate of Analysis

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