3-Nitrophenyl isothiocyanate
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3-Nitrophenyl isothiocyanate
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CAS No:
3529-82-6
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Formula:
C7H4N2O2S
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Chemical Name:
3-Nitrophenyl isothiocyanate
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Synonyms:
Benzene,1-isothiocyanato-3-nitro-;Isothiocyanic acid,m-nitrophenyl ester;1-Isothiocyanato-3-nitrobenzene;m-Nitrophenyl isothiocyanate;3-Nitrophenyl isothiocyanate
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CAS No:
Characteristics
90.3
2.85230
1.33g/cm3
56 °C @ Solvent: Ligroine
180 °C @ Press: 15 Torr
146ºC
1.631
50.45mg/L(25 ºC)
2-8°C
Safety Information
II
6.1
UN 3261 8/PG 3
3
34
23-26-36/37/39-45
NX9110000
C
P280-P305 + P351 + P338-P310
H314
|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 43 companies from 2 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:180.19
XLogP3:3.3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:179.99934855
Monoisotopic Mass:179.99934855
Topological Polar Surface Area:90.3
Heavy Atom Count:12
Complexity:220
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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