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2-METHYL-5-NITROPHENYLISOTHIOCYANATE

2-METHYL-5-NITROPHENYLISOTHIOCYANATE structure

CAS No:
86317-36-4
Formula:
C8H6N2O2S
Chemical Name:
2-METHYL-5-NITROPHENYLISOTHIOCYANATE
Synonyms:
2-METHYL-5-NITROPHENYL ISOTHIOCYANATE;2-ISOTHIOCYANATO-1-METHYL-4-NITROBENZENE;2-Methyl-5-nitrophenyl isothiocyate, 98%;Benzene, 2-isothiocyanato-1-methyl-4-nitro-

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2-METHYL-5-NITROPHENYLISOTHIOCYANATE Basic Attributes

Molecular Weight：

194.21

Exact Mass：

194.01499861

DSSTox ID：

DTXSID60374971

HScode：

2930909090

Characteristics

PSA：

90.27000

XLogP3：

3.16070

Density：

1.28±0.1 g/cm3

Melting Point：

60 °C

Boiling Point：

348.8±35.0 °C(Predicted)

Flash Point：

164.8ºC

Refractive Index：

1.616

Safety Information

Hazard category：

IRRITANT

Marks：

Computed Properties

Molecular Weight:194.21
XLogP3:4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:194.01499861
Monoisotopic Mass:194.01499861
Topological Polar Surface Area:90.3
Heavy Atom Count:13
Complexity:245
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-METHYL-5-NITROPHENYLISOTHIOCYANATE

Basic Attributes
Characteristics
Safety Information
Computed Properties

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