Benzo-1,3-dioxole-5-carbonitrile
Properties
- Molecular formula
- C8H5NO2
- Molar mass
- 147.13 g/mol
- Exact mass
- 147.0320 Da
- Melting point
- 94–97 °C
- logP
- 1.29Crippen estimate
- Polar surface area
- 42.3 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed97.9% of notifiers
- H312 Harmful in contact with skin97.9% of notifiers
- H332 Harmful if inhaled97.9% of notifiers
Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501
Identifiers
CAS number
4421-09-4SMILES
N#Cc1ccc2c(c1)OCO2InChIKey
PKRWWZCDLJSJIF-UHFFFAOYSA-NInChI
InChI=1S/C8H5NO2/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3H,5H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
11 names
- 1,3-Benzodioxole-5-carbonitrile
- NSC 27009
- Piperonylonitrile
- 1-Cyano-3,4-methylenedioxybenzene
- 5-Cyano-1,3-benzodioxole
- 3,4-(Methylenedioxy)benzonitrile
- 2H-Benzo[d]-1,3-dioxolane-5-carbonitrile
- Benzodioxole-5-carbonitrile
- Benzo[d][1,3]dioxole-5-carbonitrile
- 1,3-Dioxaindane-5-carbonitrile
- 2H-1,3-Benzodioxole-5-carbonitrile
Work with Benzo-1,3-dioxole-5-carbonitrile
Similar compounds
3-Ethoxy-4-methoxybenzonitrile60758-86-359 % similar
3,4-Dimethoxybenzonitrile2024-83-157 % similar
3,4-(Methylenedioxy)phenylacetonitrile4439-02-552 % similar
Sesamol533-31-350 % similar
Piperonyl alcohol495-76-147 % similar
1,3-Benzodioxole274-09-946 % similar
3-Methoxy-4-methylbenzonitrile3556-60-346 % similar
Benzodioxol-5-amine14268-66-745 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds