3,5-Dibromobenzonitrile
Properties
- Molecular formula
- C7H3Br2N
- Molar mass
- 260.92 g/mol
- Exact mass
- 258.8632 Da
- logP
- 3.08Crippen estimate
- Polar surface area
- 23.8 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H301 Toxic if swallowed25% of notifiers
- H302 Harmful if swallowed75% of notifiers
- H311 Toxic in contact with skin25% of notifiers
- H312 Harmful in contact with skin75% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H331 Toxic if inhaled25% of notifiers
- H332 Harmful if inhaled75% of notifiers
- H335 May cause respiratory irritation75% of notifiers
Aggregated from 4 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
97165-77-0SMILES
C1=C(C=C(C=C1Br)Br)C#NInChIKey
QUJGDNCWTBTBQD-UHFFFAOYSA-NInChI
InChI=1S/C7H3Br2N/c8-6-1-5(4-10)2-7(9)3-6/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass.
Work with 3,5-Dibromobenzonitrile
Similar compounds
5-Bromobenzene-1,3-dicarbonitrile160892-07-989 % similar
3-Bromo-5-fluorobenzonitrile179898-34-168 % similar
3-Bromo-5-chlorobenzonitrile304854-55-568 % similar
3-Bromobenzonitrile6952-59-660 % similar
5-Bromonicotinonitrile35590-37-558 % similar
4-Bromobenzonitrile623-00-757 % similar
1,3,5-Tribromobenzene626-39-150 % similar
4-Bromo-2,6-difluorobenzonitrile123843-67-448 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.