Benzoic acid, 4-methyl-3-nitro-, methyl ester
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Benzoic acid, 4-methyl-3-nitro-, methyl ester
structure -
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CAS No:
7356-11-8
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Formula:
C9H9NO4
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Chemical Name:
Benzoic acid, 4-methyl-3-nitro-, methyl ester
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Synonyms:
Benzoic acid,4-methyl-3-nitro-,methyl ester;p-Toluic acid,3-nitro-,methyl ester;Methyl 3-nitro-4-methylbenzoate;Methyl 4-methyl-3-nitrobenzoate;NSC 29086;4-Methyl-3-nitrobenzoic acid methyl ester
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CAS No:
Benzoic acid, 4-methyl-3-nitro-, methyl ester Basic Attributes
195.17
195.17
230-886-6
SP3WQE4WRB
29086
DTXSID3064641
2916399090
Characteristics
72.12000
2.3
Similar white crystalline powder
1.3±0.1 g/cm3
71 °C
298.0±20.0 °C at 760 mmHg
110 °C
1.548
soluble in methanol.
Safety Information
NONH for all modes of transport
2
22-43
37/39
Xn
P280
H302-H317
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Benzoic acid, 4-methyl-3-nitro-, methyl ester Use and Manufacturing
Benzoic acid, 4-methyl-3-nitro-, methyl ester: INACTIVE
Computed Properties
Molecular Weight:195.17
XLogP3:2.3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:195.05315777
Monoisotopic Mass:195.05315777
Topological Polar Surface Area:72.1
Heavy Atom Count:14
Complexity:236
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Benzoic acid, 4-methyl-3-nitro-, methyl ester
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