1-Bromo-2-isothiocyanatobenzene
Properties
- Molecular formula
- C7H4BrNS
- Molar mass
- 214.08 g/mol
- Exact mass
- 212.9248 Da
- logP
- 3.18Crippen estimate
- Polar surface area
- 12.4 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin97.9% of notifiers
- H314 Causes severe skin burns and eye damage12.8% of notifiers
- H315 Causes skin irritation87.2% of notifiers
- H319 Causes serious eye irritation87.2% of notifiers
- H332 Harmful if inhaled91.5% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled87.2% 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, P264, P264+P265, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P363, P403, P403+P233, P405, P501
Identifiers
CAS number
13037-60-0SMILES
C1=CC=C(C(=C1)N=C=S)BrInChIKey
PAFORXDSYWMYGP-UHFFFAOYSA-NInChI
InChI=1S/C7H4BrNS/c8-6-3-1-2-4-7(6)9-5-10/h1-4HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 2-Bromophenyl isothiocyanate
Work with 1-Bromo-2-isothiocyanatobenzene
Similar compounds
2-Methylphenyl isothiocyanate614-69-761 % similar
2,5-Dibromophenyl isothiocyanate98041-67-960 % similar
2-Bromophenyl isocyanate1592-00-357 % similar
1-Bromo-4-fluoro-2-isothiocyanatobenzene175205-35-356 % similar
2-Bromo-4-methylphenyl isothiocyanate19241-39-556 % similar
2-Chlorophenyl isothiocyanate2740-81-055 % similar
2-Fluorophenyl isothiocyanate38985-64-755 % similar
2-Iodophenyl isothiocyanate98041-44-255 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.