3-(4-Bromophenyl)propionitrile
Properties
- Molecular formula
- C9H8BrN
- Molar mass
- 210.07 g/mol
- Exact mass
- 208.9840 Da
- logP
- 2.91Crippen estimate
- Polar surface area
- 23.8 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed33.3% of notifiers
- H312 Harmful in contact with skin33.3% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled33.3% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
57775-08-3SMILES
C1=CC(=CC=C1CCC#N)BrInChIKey
QAWLKTDBUQOFEF-UHFFFAOYSA-NInChI
InChI=1S/C9H8BrN/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6H,1-2H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 3-(4-Bromophenyl)propanenitrile
Work with 3-(4-Bromophenyl)propionitrile
Similar compounds
(4-Bromophenyl)acetonitrile16532-79-965 % similar
3-(p-Hydroxyphenyl)propiononitrile17362-17-363 % similar
Benzenepropanenitrile645-59-060 % similar
4-Methoxybenzenepropanenitrile22442-48-452 % similar
3-(4-Bromophenyl)propan-1-ol25574-11-248 % similar
1-Bromo-4-butylbenzene41492-05-148 % similar
1-Bromo-4-pentylbenzene51554-95-147 % similar
Benzenebutanenitrile2046-18-646 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.