1-Naphthyl isothiocyanate
Properties
- Molecular formula
- C11H7NS
- Molar mass
- 185.24 g/mol
- Exact mass
- 185.0299 Da
- Density
- 1.81 g/mL
- Melting point
- 58 °C
- Boiling point
- 190 °C (at 20 Torr)
- Water solubility
- < 1 g/L (20 °C)
- logP
- 3.57Crippen estimate
- Polar surface area
- 12.4 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H301 Toxic if swallowed100% of notifiers
- H311 Toxic in contact with skin10.6% of notifiers
- H312 Harmful in contact with skin87.2% of notifiers
- H315 Causes skin irritation89.4% of notifiers
- H319 Causes serious eye irritation89.4% of notifiers
- H332 Harmful if inhaled89.4% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled89.4% of notifiers
- H335 May cause respiratory irritation89.4% of notifiers
Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P233, P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P361+P364, P362+P364, P403, P403+P233, P405, P501
Identifiers
CAS number
551-06-4SMILES
S=C=Nc1cccc2ccccc12InChIKey
JBDOSUUXMYMWQH-UHFFFAOYSA-NInChI
InChI=1S/C11H7NS/c13-8-12-11-7-3-5-9-4-1-2-6-10(9)11/h1-7HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
8 names
- α-Naphthyl isothiocyanate
- ANI
- ANIT
- Naphthalene, 1-isothiocyanato-
- Isothiocyanic acid, 1-naphthyl ester
- 1-Isothiocyanatonaphthalene
- NSC 89741
- Naphthalen-1-yl isothiocyanate
Reactions
Work with 1-Naphthyl isothiocyanate
Similar compounds
1-Naphthyl isocyanate86-84-060 % similar
1-Bromo-2-isothiocyanatobenzene13037-60-053 % similar
2-Fluorophenyl isothiocyanate38985-64-752 % similar
2-Methylphenyl isothiocyanate614-69-752 % similar
4-Isothiocyanato-N,N-dimethyl-1-naphthalenamine29711-79-351 % similar
1-Ethyl-2-isothiocyanatobenzene19241-19-147 % similar
3-Chloro-o-tolyl isothiocyanate19241-35-146 % similar
Phenyl isothiocyanate103-72-045 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds