2-Methylphenyl isocyanate

C₈H₇NOCAS 614-68-6133.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₇NO
Molar mass: 133.15 g/mol
Exact mass: 133.0528 Da
Boiling point: 185 °C
logP: 1.96Crippen estimate
Polar surface area: 29.4 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

614-68-6

SMILES

Cc1ccccc1N=C=O

InChIKey

VAYMIYBJLRRIFR-UHFFFAOYSA-N

InChI

InChI=1S/C8H7NO/c1-7-4-2-3-5-8(7)9-6-10/h2-5H,1H3

Weigh it out

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

Names and synonyms

7 names

Benzene, 1-isocyanato-2-methyl-
Isocyanic acid, o-tolyl ester
1-Isocyanato-2-methylbenzene
o-Tolyl isocyanate
o-Methylphenyl isocyanate
o-Toluene isocyanate
2-Tolyl isocyanate

Work with 2-Methylphenyl isocyanate

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

2,3-Dimethylphenyl isocyanate1591-99-769 % similar 2,6-Dimethylphenyl isocyanate28556-81-261 % similar Toluene 2,6-diisocyanate91-08-761 % similar 3,3′-Dimethylbiphenyl 4,4′-diisocyanate91-97-460 % similar 1-Iodo-2-isocyanatobenzene128255-31-259 % similar 2-Methylphenyl isothiocyanate614-69-759 % similar 2,5-Dimethylphenyl isocyanate40397-98-658 % similar Toluene diisocyanate584-84-958 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(+)-Mandelonitrile10020-96-9 5-Methylbenzoxazole10531-78-9 4-Hydroxybenzyl cyanide14191-95-8 3-Methoxybenzonitrile1527-89-5 5-Hydroxyindole1953-54-4 6-Hydroxyindole2380-86-1 1H-Indol-4-ol2380-94-1 Benzyl isocyanate3173-56-6

Elsewhere

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