1-Methyl-4-(methylsulfonyl)-2-nitrobenzene
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1-Methyl-4-(methylsulfonyl)-2-nitrobenzene
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CAS No:
1671-49-4
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Formula:
C8H9NO4S
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Chemical Name:
1-Methyl-4-(methylsulfonyl)-2-nitrobenzene
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Synonyms:
Benzene,1-methyl-4-(methylsulfonyl)-2-nitro-;Sulfone,methyl 3-nitro-p-tolyl;1-Methyl-4-(methylsulfonyl)-2-nitrobenzene;4-Methylsulfonyl-2-nitrotoluene;1-Methyl-4-methylsulfonyl-2-nitrobenzene;4-Methylsulfonyl-1-methyl-2-nitrobenzene;2-Nitro-4-methylsulfonyltoluene;2-Nitro-4-methanesulfone toluene
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CAS No:
1-Methyl-4-(methylsulfonyl)-2-nitrobenzene Basic Attributes
215.22600
215.23
430-550-0|605-469-0
DTXSID30350742
2904909090
Characteristics
88.34000
2.91070
1.35g/cm3
118-121 °C @ Solvent: Methanol
387.8ºC at 760mmHg
188.3ºC
1.551
7.16E-06mmHg at 25°C
Safety Information
UN 2811
R23/24/25
S26; S36/37/39
|Warning|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P261, P264, P270, P272, P273, P280, P281, P301+P312, P302+P352, P308+P313, P321, P330, P333+P313, P363, P405, and P501|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|Aggregated GHS information provided by 33 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Aggregated GHS information provided by 199 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:215.23
XLogP3:1.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:215.02522894
Monoisotopic Mass:215.02522894
Topological Polar Surface Area:88.3
Heavy Atom Count:14
Complexity:313
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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