4-ACETYLPHENYLISOTHIOCYANATE
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4-ACETYLPHENYLISOTHIOCYANATE
structure -
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CAS No:
2131-57-9
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Formula:
C9H7NOS
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Chemical Name:
4-ACETYLPHENYLISOTHIOCYANATE
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Synonyms:
AKOSB022538;4-ACETYLPHENYLISOTHIOCYANATE;Phenylisothiocyanate,4-acetyl;1-(4-ISOTHIOCYANATO-PHENYL)-ETHANONE;ethanone,1-(4-isothiocyanatophenyl)-;4-Acetylphenylisothiocyanate,1-(4-Isothiocyanatophenyl)ethan-1-one
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CAS No:
4-ACETYLPHENYLISOTHIOCYANATE Basic Attributes
177.22
177.02500
2207978
51673
DTXSID30287589
2930909090
Characteristics
61.5
2.62350
1.11g/cm3
82 °C
112 °C
112°C/6mm
1.576
16.84mg/L(25 ºC)
0.000335mmHg at 25°C
Safety Information
III
6.1
2811
20/21/22-36/37/38-43-34
26-36/37/39-45
Xi,C
P260, P261, P264, P270, P271, P272, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P333+P313, P363, P405, P501
H302+H312+H332
Computed Properties
Molecular Weight:177.22
XLogP3:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:177.02483502
Monoisotopic Mass:177.02483502
Topological Polar Surface Area:61.5
Heavy Atom Count:12
Complexity:213
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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