Cs gas
Properties
- Molecular formula
- C10H5ClN2
- Molar mass
- 188.61 g/mol
- Exact mass
- 188.0141 Da
- Melting point
- 95–96 °C
- Boiling point
- 310–315 °C
- Water solubility
- 1 g/L (20 °C)
- logP
- 2.77Crippen estimate
- Polar surface area
- 47.6 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H301 Toxic if swallowed98.5% of notifiers
- H315 Causes skin irritation30.8% of notifiers
- H317 May cause an allergic skin reaction92.3% of notifiers
- H319 Causes serious eye irritation30.8% of notifiers
- H330 Fatal if inhaled29.2% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled63.1% of notifiers
- H335 May cause respiratory irritation30.8% of notifiers
- H400 Very toxic to aquatic life90.8% of notifiers
- H411 Toxic to aquatic life with long lasting effects29.2% of notifiers
Aggregated from 65 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P233, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P391, P403, P403+P233, P405, P501
Identifiers
CAS number
2698-41-1SMILES
N#CC(C#N)=Cc1ccccc1ClInChIKey
JJNZXLAFIPKXIG-UHFFFAOYSA-NInChI
InChI=1S/C10H5ClN2/c11-10-4-2-1-3-9(10)5-8(6-12)7-13/h1-5HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
22 names · show all
- Propanedinitrile, 2-[(2-chlorophenyl)methylene]-
- Malononitrile, (o-chlorobenzylidene)-
- Propanedinitrile, [(2-chlorophenyl)methylene]-
- 2-[(2-Chlorophenyl)methylene]propanedinitrile
- 2-Chlorobenzylidenemalononitrile
- β,β-Dicyano-o-chlorostyrene
- 2-Chlorobenzalmalononitrile
- (o-Chlorobenzal)malononitrile
- (o-Chlorobenzylidene)malononitrile
- CS (lacrimator)
- o-Chlorobenzylidenemalonic nitrile
- CS
- CS(lacrimitor)
- 2-(o-Chlorophenyl)-1,1-dicyanoethylene
- 2-Chlorobenzylidenemalonodinitrile
- NSC 542
- NSC 637336
- 1-Chloro-2-(2,2-dicyanoethenyl)benzene
- 2-[(2-Chlorophenyl)methylene]malononitrile
- 2-(2-Chlorobenzylidene)malononitrile
- [(2-Chlorophenyl)methylene]malononitrile
- 2-[(2-Chlorophenyl)methylidene]propanedinitrile
Work with Cs gas
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Benzylidenemalononitrile2700-22-350 % similar
2-Chlorostyrene2039-87-445 % similar
2-Chlorobenzaldehyde89-98-545 % similar
Cyanobenzocyclobuten117917-37-042 % similar
2,3-Dichlorobenzonitrile6574-97-642 % similar
2-Chlorobenzaldehyde oxime3717-28-041 % similar
Tyrphostin 23118409-57-741 % similar
2-Chlorocinnamoyl chloride35086-82-941 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.