AG003LFY

1544-68-9 | 4-Fluorophenyl Isothiocyanate

AG003LFY

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CAS Number	1544-68-9
Catalog Number	AG003LFY(AGN-PC-0JKC6H)
Chemical Name	4-Fluorophenyl Isothiocyanate
EC Number	216-280-4
IUPAC Name	1-fluoro-4-isothiocyanatobenzene
InChI	InChI=1S/C7H4FNS/c8-6-1-3-7(4-2-6)9-5-10/h1-4H
InChI Key	NFIUJHJMCQQYDL-UHFFFAOYSA-N
MDL Number	MFCD00004809
Molecular Formula	C7H4FNS
Molecular Weight	153.1768
NSC Number	78433
SMILES	S=C=NC1=CC=C(F)C=C1
Synonyms	4-Fluorophenyl isothiocyanate, 1544-68-9, p-Fluorophenyl isothiocyanate, 1-Fluoro-4-isothiocyanatobenzene, Benzene, 1-fluoro-4-isothiocyanato-, 4-fluorophenylisothiocyanate, 1-fluoro-4-isothiocyanato-benzene, ISOTHIOCYANIC ACID, p-FLUOROPHENYL ESTER, EINECS 216-280-4, NSC 78433, BRN 0636596, NFIUJHJMCQQYDL-UHFFFAOYSA-N, MFCD00004809, Isothiocyanic Acid 4-Fluorophenyl Ester, 4-fluorobenzenisothiocyanate, OTAVA-BB 1055687, 4-FLUOROISOTHIOCYANATOBENZENE, PubChem5008, WLN: SCNR DF, ACMC-1BT3U, Intermediates-ZCF02176, 4fluorophenyl isothiocyanate, AC1L25GZ, AC1Q4M8X, 4-fluoro-phenylisothiocyanate, 4-fluorophenyl-isothiocyanate, 4-12-00-01110 (Beilstein Handbook Reference), KSC497G8B, SCHEMBL457225, 4-fluoro-phenyl isothiocyanate, DTXSID3061768, 1-isothiocyanato-4-fluorobenzene, CTK3J7380, KS-00000WKI, ZINC167224, 1-Fluoro-4-isothiocyanatobenzene #, ACT00988, Benzene,1-fluoro-4-isothiocyanato-, NSC78433, 4-Fluorophenyl isothiocyanate, 98%, 1-fluoranyl-4-isothiocyanato-benzene, ANW-21502, BBL012572, NSC-78433, SBB055076, STL163642, WT1901, AKOS000212244, AS00359, AS04345, CM13773, MCULE-1362351337, RP21735, RTR-006415, TRA0046965, AN-25568, BP-12925, CJ-02381, FS000045, LS-86421, PS-10310, SC-43742, ZB008791, 1544-68-9 4-fluorophenyl isothiocyanate, AB1002901, DB-043222, TL8006931, TR-006415, F0644, FT-0618539, ST50824402, X3263, A-8994, A809538, J-515414, J-802138, F2121-0327, null, Cyclopentanone oxime, C7H4FNS, C7-H4-F-N-S, CID15241, 4-Fluorophenyl isothiocyanate, 98% - 25G 25g,

Complexity	146
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	153.005g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	153.174g/mol
Monoisotopic Mass	153.005g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	44.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314-H317-H334
Packing Group	Ⅱ
Precautionary statements	P260-P261-P264-P272-P280-P285-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P304+P341-P305+P351+P338-P310-P321-P333+P313-P342+P311-P363-P405-P501
Signal Words	danger
UN Code	UN 1759

Certificate of Analysis

Lot Number