AG003HC5

38985-64-7 | 2-Fluorophenyl isothiocyanate

AG003HC5

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CAS Number	38985-64-7
Catalog Number	AG003HC5(AGN-PC-0JM2JI)
Chemical Name	2-Fluorophenyl isothiocyanate
EC Number	254-237-1
IUPAC Name	1-fluoro-2-isothiocyanatobenzene
InChI	InChI=1S/C7H4FNS/c8-6-3-1-2-4-7(6)9-5-10/h1-4H
InChI Key	OAGDRIUTLPDSMJ-UHFFFAOYSA-N
MDL Number	MFCD00004800
Molecular Formula	C7H4FNS
Molecular Weight	153.1768
NSC Number	129257
SMILES	S=C=NC1=CC=CC=C1F
Synonyms	2-Fluorophenyl isothiocyanate, 38985-64-7, o-Fluorophenyl isothiocyanate, 1-Fluoro-2-isothiocyanatobenzene, Benzene, 1-fluoro-2-isothiocyanato-, 2-fluorophenylisothiocyanate, 1-fluoro-2-isothiocyanato-benzene, Isothiocyanic Acid 2-Fluorophenyl Ester, OAGDRIUTLPDSMJ-UHFFFAOYSA-N, Benzene,1-fluoro-2-isothiocyanato-, o-FLUORO PHENYL ISOTHIOCYANATE, MFCD00004800, 2-fluorobenzenisothiocyanate, TIMTEC-BB SBB006546, OTAVA-BB 1055686, 2-FLUOROISOTHIOCYANATOBENZENE, EINECS 254-237-1, NSC 129257, PubChem5002, AC1L3YOL, ACMC-209j2x, 2fluorophenyl isothiocyanate, AC1Q4L2Y, AC1Q4L2Z, AC1Q4O2R, SCHEMBL160878, DTXSID0068153, 2-fluoro-1-isothiocyanatobenzene, CTK4I0782, 2-fluoro-1-isothiocyanato benzene, ZINC164776, 1-Fluoro-2-isothiocyanatobenzene #, 2-Fluorophenyl isothiocyanate, 98%, ANW-28999, BBL027477, CK1143, GEO-02838, NSC129257, SBB006546, STK801430, AKOS000212397, AS00353, AS04342, MCULE-8847438420, NSC-129257, VZ24690, BP-10890, SC-73738, AB1010840, DB-021137, TR-015668, F0711, FT-0612438, ST50824400, X8274, Unavailable - See ASDI_CatNo 500014045, J-802085, F1915-0005, C7H4FNS, 4-BROMO-1-BUTENE, C7-H4-F-N-S, CID97520, AR-1C3098, 2-Fluorophenyl isothiocyanate, 97% - 25G 25g, 40870-52-8,

Complexity	154
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-H335
Packing Group	Ⅱ
Precautionary statements	P261-P280-P305+P351+P338-P310
UN Code	UN 1760

Certificate of Analysis

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