Nitromesitylene

C₉H₁₁NO₂CAS 603-71-4165.19 g/mol

Open in Covalent MOL file

Nitro

Properties

Molecular formula: C₉H₁₁NO₂
Molar mass: 165.19 g/mol
Exact mass: 165.0790 Da
Density: 1.18 g/mL
Melting point: 44 °C
Boiling point: 255 °C
logP: 2.52Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed93.2% of notifiers
H312 Harmful in contact with skin93.2% of notifiers
H315 Causes skin irritation95.5% of notifiers
H319 Causes serious eye irritation97.7% of notifiers
H332 Harmful if inhaled93.2% of notifiers
H335 May cause respiratory irritation93.2% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

603-71-4

SMILES

Cc1cc(C)c([N+](=O)[O-])c(C)c1

InChIKey

SCEKDQTVGHRSNS-UHFFFAOYSA-N

InChI

InChI=1S/C9H11NO2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

11 names

Benzene, 1,3,5-trimethyl-2-nitro-
Mesitylene, 2-nitro-
1,3,5-Trimethyl-2-nitrobenzene
2,4,6-Trimethyl-1-nitrobenzene
2-Nitromesitylene
2,4,6-Trimethylnitrobenzene
Mononitromesitylene
2-Nitro-1,3,5-trimethylbenzene
1-Nitro-2,4,6-trimethylbenzene
3,5-Dimethyl-4-nitrotoluene
NSC 5413

Reactions

NITROMESITYLENE (Mesitylene, 2-nitro-)product

Work with Nitromesitylene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,5-Dimethyl-4-nitrophenol5344-97-866 % similar 2,6-Dimethylnitrobenzene81-20-961 % similar 4-Nitro-m-xylene89-87-258 % similar 2,4-Dimethyl-6-nitrophenol14452-34-758 % similar 2,4-Dimethyl-6-nitroaniline1635-84-358 % similar 1,3-Dimethyl-5-nitrobenzene99-12-757 % similar 3,5-Dimethyl-4-nitrobenzoic acid3095-38-356 % similar 3,5-Dimethyl-4-nitropyridine 1-oxide14248-66-955 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl N-phenylcarbamate101-99-5 Metolcarb1129-41-5 2-Amino-2-(4-methylphenyl)acetic acid13227-01-5 (+)-3-Amino-3-phenylpropanoic acid13921-90-9 2-Amino-3,5-dimethylbenzoic acid14438-32-5 1,3-Benzodioxole-5-ethanamine1484-85-1 DL-Phenylalanine150-30-1 4-Acetaminobenzyl alcohol16375-88-5

Elsewhere

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