AG00340V

705-31-7 | 4-(Trifluoromethyl)phenylacetylene

AG00340V

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CAS Number	705-31-7
Catalog Number	AG00340V(AGN-PC-0L9LWS)
Chemical Name	4-(Trifluoromethyl)phenylacetylene
IUPAC Name	1-ethynyl-4-(trifluoromethyl)benzene
InChI	InChI=1S/C9H5F3/c1-2-7-3-5-8(6-4-7)9(10,11)12/h1,3-6H
InChI Key	XTKBMZQCDBHHKY-UHFFFAOYSA-N
MDL Number	MFCD01861903
Molecular Formula	C9H5F3
Molecular Weight	170.1312
SMILES	FC(C1=CC=C(C=C1)C#C)(F)F
Synonyms	1-ethynyl-4-(trifluoromethyl)benzene, 705-31-7, 4'-Trifluoromethylphenyl acetylene, 4-(Trifluoromethyl)phenylacetylene, 4-Ethynyl-alpha,alpha,alpha-trifluorotoluene, 4-Ethynyl-a,a,a-trifluorotoluene, 4-Ethynylbenzotrifluoride, 1-ethynyl-4-trifluoromethyl-benzene, BENZENE, 1-ETHYNYL-4-(TRIFLUOROMETHYL)-, 4'-Trifluoromethylphenylacetylene, PubChem10444, 4-ethynyl trifluorotoluene, AC1N8RD9, 4-Trifluoromethylphenylethyne, SCHEMBL202305, 4-Ethynyl-,,-trifluorotoluene, 4-trifluoromethylphenylacetylene, 4-trifluoromethyl-phenylacetylene, CTK5J0606, KS-00000VDX, 1-ethynyl-4-trifluromethylbenzene, DTXSID20402209, XTKBMZQCDBHHKY-UHFFFAOYSA-N, 1-ethynyl-4-trifluoromethylbenzene, BCP15594, ZINC2386378, [4-(Trifluoromethyl)phenyl]acetylene, 0923AC, ANW-61363, KM1353, MFCD01861903, SBB064832, 4-ethynyl-1-(trifluoromethyl)benzene, 1-ethynyl-4-(trifluoromethyl)-benzene, AKOS009156709, AB10177, PS-8707, 4-(Trifluoromethyl)phenylacetylene, 97%, AJ-35312, AN-47355, BP-12638, SC-06430, SY038930, AB0085518, RT-002288, A9301, E0626, FT-0616937, ST24038006, MFCD01861903 (98%), 4-Ethynyl-alpha,alpha,alpha-trifluorotoluene, 97%, 705T317, I01-6020, Q-102444, F0001-1824, C9H5F3, 4-METHYL-3-NITROACETOPHENONE, CID4348295, 4-Ethynyl-alpha,alpha,alpha-trifluorotoluene, 98% - 1G 1g, 5333-27-7,

Complexity	188
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	170.034g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	170.134g/mol
Monoisotopic Mass	170.034g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H225
Packing Group	Ⅱ
Precautionary statements	P210
UN Code	UN 1993

Certificate of Analysis

Lot Number