4-Chlorophenylsulfonylacetonitrile
Properties
- Molecular formula
- C8H6ClNO2S
- Molar mass
- 215.65 g/mol
- Exact mass
- 214.9808 Da
- logP
- 1.64Crippen estimate
- Polar surface area
- 57.9 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 2
Hazards
Danger
- H301 Toxic if swallowed14.3% of notifiers
- H302 Harmful if swallowed85.7% of notifiers
- H311 Toxic in contact with skin14.3% of notifiers
- H312 Harmful in contact with skin85.7% of notifiers
- H315 Causes skin irritation42.9% of notifiers
- H319 Causes serious eye irritation42.9% of notifiers
- H331 Toxic if inhaled14.3% of notifiers
- H332 Harmful if inhaled85.7% of notifiers
- H335 May cause respiratory irritation28.6% of notifiers
Aggregated from 7 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
1851-09-8SMILES
C1=CC(=CC=C1S(=O)(=O)CC#N)ClInChIKey
HAQGVGPNKGGSMK-UHFFFAOYSA-NInChI
InChI=1S/C8H6ClNO2S/c9-7-1-3-8(4-2-7)13(11,12)6-5-10/h1-4H,6H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 2-(4-Chlorobenzenesulfonyl)acetonitrile
Work with 4-Chlorophenylsulfonylacetonitrile
Similar compounds
(Phenylsulfonyl)acetonitrile7605-28-967 % similar
2-(4-Bromobenzenesulfonyl)acetonitrile126891-45-064 % similar
(4-Fluorobenzenesulfonyl)acetonitrile32083-66-264 % similar
2-[(4-Methylphenyl)sulfonyl]acetonitrile5697-44-964 % similar
2,4-Dichlorobenzenesulphonylacetonitrile87475-64-759 % similar
2-(4-Chlorobenzenesulfonyl)acetic acid3405-89-847 % similar
1-[(4-Chlorophenyl)sulfonyl]-2-propanone5000-48-647 % similar
(4-Chlorophenyl)acetonitrile140-53-445 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds