4-Methyl-3-nitrobenzenemethanol

C₈H₉NO₃CAS 40870-59-5167.16 g/mol

Open in Covalent MOL file

Alcohol Nitro

Properties

Molecular formula: C₈H₉NO₃
Molar mass: 167.16 g/mol
Exact mass: 167.0582 Da
logP: 1.40Crippen estimate
Polar surface area: 63.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

40870-59-5

SMILES

Cc1ccc(CO)cc1[N+](=O)[O-]

InChIKey

URCWIFSXDARYLY-UHFFFAOYSA-N

InChI

InChI=1S/C8H9NO3/c1-6-2-3-7(5-10)4-8(6)9(11)12/h2-4,10H,5H2,1H3

Weigh it out

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

Names and synonyms

6 names

Benzenemethanol, 4-methyl-3-nitro-
Benzyl alcohol, 4-methyl-3-nitro-
3-Nitro-4-methylbenzyl alcohol
4-Methyl-3-nitrobenzyl alcohol
(4-Methyl-3-nitro-phenyl)-methanol
(4-Methyl-3-nitrophenyl)methanol

Work with 4-Methyl-3-nitrobenzenemethanol

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Methyl-4-nitrobenzenemethanol80866-75-782 % similar 4-(Chloromethyl)-1-methyl-2-nitrobenzene84540-59-068 % similar 4-Hydroxy-3-nitrobenzyl alcohol41833-13-065 % similar 4-Chloro-3-nitrobenzenemethanol55912-20-463 % similar 4-Methyl-3-nitrophenol2042-14-059 % similar 2,4-Dinitrotoluene121-14-258 % similar 1,4-Dimethyl-2-nitrobenzene89-58-758 % similar 4-Iodo-2-nitrotoluene41252-97-557 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(4-Nitrophenyl)ethanol100-27-6 P-Nitrophenetole100-29-8 1-Methoxy-4-methyl-2-nitrobenzene119-10-8 Glycin122-87-2 2-Methoxy-1-methyl-4-nitrobenzene13120-77-9 2,4-Dimethyl-6-nitrophenol14452-34-7 2-Nitrobenzeneethanol15121-84-3 4-Methoxy-1-methyl-2-nitrobenzene17484-36-5

Elsewhere

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