2-Methyl-4-nitrophenyl isothiocyanate
Properties
- Molecular formula
- C8H6N2O2S
- Molar mass
- 194.21 g/mol
- Exact mass
- 194.0150 Da
- logP
- 2.64Crippen estimate
- Polar surface area
- 55.5 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
135805-96-8SMILES
CC1=C(C=CC(=C1)[N+](=O)[O-])N=C=SInChIKey
JEWJPETZSUMXII-UHFFFAOYSA-NInChI
InChI=1S/C8H6N2O2S/c1-6-4-7(10(11)12)2-3-8(6)9-5-13/h2-4H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 2-Methyl-4-nitrophenyl isothiocyanate
Similar compounds
1-Isothiocyanato-2-methoxy-4-nitrobenzene190774-55-165 % similar
4-Nitro-o-xylene99-51-457 % similar
4-Nitrophenyl isothiocyanate2131-61-556 % similar
3-Nitrophenyl isothiocyanate3529-82-655 % similar
1-Isothiocyanato-2,4-dimethylbenzene39842-01-854 % similar
1-Iodo-2-methyl-4-nitrobenzene5326-38-553 % similar
2-Methyl-4-nitrophenol99-53-653 % similar
1-Chloro-2-methyl-4-nitrobenzene13290-74-951 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.