4-Bromo-2-hydroxybenzonitrile
Properties
- Molecular formula
- C7H4BrNO
- Molar mass
- 198.02 g/mol
- Exact mass
- 196.9476 Da
- logP
- 2.03Crippen estimate
- Polar surface area
- 44.0 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 0
Hazards
Danger
- H301 Toxic if swallowed66.7% of notifiers
- H302 Harmful if swallowed33.3% of notifiers
- H311 Toxic in contact with skin33.3% of notifiers
- H312 Harmful in contact with skin33.3% of notifiers
- H315 Causes skin irritation83.3% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H331 Toxic if inhaled33.3% of notifiers
- H332 Harmful if inhaled33.3% of notifiers
- H335 May cause respiratory irritation16.7% of notifiers
Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
288067-35-6SMILES
C1=CC(=C(C=C1Br)O)C#NInChIKey
PAHSHGVACWNGEY-UHFFFAOYSA-NInChI
InChI=1S/C7H4BrNO/c8-6-2-1-5(4-9)7(10)3-6/h1-3,10HWeigh it out
Type any one amount. The others follow from the molar mass.
Work with 4-Bromo-2-hydroxybenzonitrile
Similar compounds
4-Bromophthalonitrile70484-01-464 % similar
4-Bromo-2-fluorobenzonitrile105942-08-356 % similar
4-Bromo-2-chlorobenzonitrile154607-01-956 % similar
4-Bromo-2-methylbenzonitrile67832-11-556 % similar
4-Bromo-2-(trifluoromethyl)benzonitrile191165-13-656 % similar
4-Bromocatechol17345-77-654 % similar
4-Hydroxybenzene-1,2-dicarbonitrile30757-50-752 % similar
2-Hydroxybenzonitrile611-20-152 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.