AG0034I4

532-55-8 | Benzoyl isothiocyanate

AG0034I4

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CAS Number	532-55-8
Catalog Number	AG0034I4(AGN-PC-0JL8DG)
Chemical Name	Benzoyl isothiocyanate
EC Number	208-540-0
IUPAC Name	benzoyl isothiocyanate
InChI	InChI=1S/C8H5NOS/c10-8(9-6-11)7-4-2-1-3-5-7/h1-5H
InChI Key	CPEKAXYCDKETEN-UHFFFAOYSA-N
MDL Number	MFCD00004815
Molecular Formula	C8H5NOS
Molecular Weight	163.1964
NSC Number	29259
SMILES	O=C(N=C=S)c1ccccc1
UNII	U8J7Q32B86
Synonyms	Benzoyl isothiocyanate, 532-55-8, Benzoylthiocarbimide, Benzoylisothiocyanate, benzoylisothiocyante, Isothiocyanic Acid Benzoyl Ester, UNII-U8J7Q32B86, n-benzoyl isothiocyanate, Benzoic acid, anhydride with HNCS, MFCD00004815, Benzoyl isothiocyanate, 98%, Benzoic acid, anhydride with isothiocyanic acid, CPEKAXYCDKETEN-UHFFFAOYSA-N, U8J7Q32B86, oxophenylmethanisothiocyanate, 1-benzoyl acetone, benzoyl isothiocyante, benzoyl isothiocynate, EINECS 208-540-0, benzoyl-isothiocyanate, benzoylisothio-cyanate, PubChem7571, benzoyl iso thiocyanate, AC1L29FD, AC1Q5BD6, AC1Q5JW3, SCHEMBL8396, KSC203K8N, isothiocyanato-phenyl-methanone, ACMC-209l59, 1-benzenecarbonyl isothiocyanate, KS-00001PQN, DTXSID00201257, ACT03239, KS-000000ZF, NSC29259, ZINC1652069, ANW-31675, NSC 29259, NSC-29259, SBB068862, AKOS000120798, AS00355, AS04368, MCULE-5170126749, RTR-033210, TRA0046294, AN-45642, BC685804, BP-10171, BP-24277, CJ-05967, CJ-26732, SC-05107, AB0066893, DB-022597, TR-033210, FT-0622740, I0501, ST50824850, V6439, C20170, K-9657, 94021-EP2279750A1, 94021-EP2305672A1, J-670006, J-801005, S01-0438, C8H5NOS, Isotiocianato de benzoilo, (Isothiocyanatomethanoyl)benzol, C8-H5-N-O-S, CID68284, AR-1H9428, Benzoyl isothiocyanate, 96% - 25G 25g, 5413-29-6,

Complexity	190
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	163.009g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	163.194g/mol
Monoisotopic Mass	163.009g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	61.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H317-H318-H302-H312-H314-H331-H334
Packing Group	Ⅲ
Precautionary statements	P260h-P284-P303+P361+P353-P405-P501a-P280-P301+P310-P305+P351+P338
UN Code	UN 2810

Certificate of Analysis

Lot Number