CAS
86315-52-8 Purity
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86315-52-8 Purity
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2-METHYL-5-NITROPHENYL ISOTHIOCYANATE
CAS
86317-36-4
Catalog Number
ACM86317364
Category
Other Products
Molecular Weight
194.21
Molecular Formula
C8H6N2O2S
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Specification
Synonyms
ALBB-003093, ZINC00335470, 2-isothiocyanato-1-methyl-4-nitrobenzene, AL-398/25017005, 86317-36-4
IUPAC Name
2-isothiocyanato-1-methyl-4-nitrobenzene
Canonical SMILES
CC1=C(C=C(C=C1)[N+](=O)[O-])N=C=S
InChI Key
IQINAWYOKXCYQO-UHFFFAOYSA-N
Boiling Point
348.8ºC at 760 mmHg
Melting Point
60ºC
Flash Point
164.8ºC
Density
1.28g/cm³
Exact Mass
194.01500
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
3
H-Bond Donor
0
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