AG003LOM

2284-20-0 | 4-Methoxyphenyl isothiocyanate

AG003LOM

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CAS Number	2284-20-0
Catalog Number	AG003LOM(AGN-PC-0JLP9K)
Chemical Name	4-Methoxyphenyl isothiocyanate
EC Number	218-921-3
IUPAC Name	1-isothiocyanato-4-methoxybenzene
InChI	InChI=1S/C8H7NOS/c1-10-8-4-2-7(3-5-8)9-6-11/h2-5H,1H3
InChI Key	VRPQCVLBOZOYCG-UHFFFAOYSA-N
MDL Number	MFCD00011676
Molecular Formula	C8H7NOS
Molecular Weight	165.2123
NSC Number	77713
SMILES	COC1=CC=C(C=C1)N=C=S
Synonyms	4-methoxyphenylisothiocyanate, 4-PMPITC, 4-Methoxyphenyl isothiocyanate, 2284-20-0, 1-Isothiocyanato-4-methoxybenzene, 4-Methoxyphenylisothiocyanate, p-Methoxyphenyl isothiocyanate, 1-isothiocyanato-4-methoxy-benzene, Benzene, 1-isothiocyanato-4-methoxy-, VRPQCVLBOZOYCG-UHFFFAOYSA-N, MFCD00011676, Isothiocyanic Acid 4-Methoxyphenyl Ester, 4-methoxybenzenisothiocyanate, EINECS 218-921-3, NSC 77713, 4-Isothiocyanatoanisole, p-Anisyl isothiocyanate, ACMC-1CCQX, AC1L2OGI, AC1Q4B0M, AC1Q7EV5, p-methoxyphenylisothiocyanate, NCIOpen2_000741, SCHEMBL40681, 4-methoxylphenyl isothiocyanate, 4-methoxy phenyl isothiocyanate, Phenylisothiocyanate, 4-methoxy, CTK4F0315, DTXSID00177387, ZINC167101, 1-isothiocyanato-4-methoxy benzene, BCP26727, NSC77713, 1-Isothiocyanato-4-methoxybenzene #, 4-Methoxyphenyl isothiocyanate, 98%, 7790AD, ANW-24976, BBL012568, Benzene,1-isothiocyanato-4-methoxy-, GEO-02886, NSC-77713, SBB006547, STK397868, AKOS000212295, FS-3847, MCULE-2143160992, AN-50654, SC-77878, TR-010704, FT-0618949, FT-0618960, I0513, ST50214553, Z-0134, I09-2729, J-802144, F2121-0325, Diethyl butylmalonate, C8H7NOS, C8-H7-N-O-S, CID75293, AR-1G3234, A15390, 29333-99-1,

Complexity	158
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	165.025g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	165.21g/mol
Monoisotopic Mass	165.025g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	53.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

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
UN Code	UN 1760

Certificate of Analysis

Lot Number