4-Chloro-3,5-dinitrobenzonitrile
Properties
- Molecular formula
- C7H2ClN3O4
- Molar mass
- 227.56 g/mol
- Exact mass
- 226.9734 Da
- Melting point
- 143–144.5 °C
- logP
- 2.03Crippen estimate
- Polar surface area
- 110.1 Ų
- H-bond donors / acceptors
- 0 / 5
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled100% of notifiers
- H335 May cause respiratory irritation97.7% of notifiers
Aggregated from 44 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
1930-72-9SMILES
N#Cc1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1InChIKey
SCGDEDHSPCXGEC-UHFFFAOYSA-NInChI
InChI=1S/C7H2ClN3O4/c8-7-5(10(12)13)1-4(3-9)2-6(7)11(14)15/h1-2HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Benzonitrile, 4-chloro-3,5-dinitro-
- 3,5-Dinitro-4-chlorobenzonitrile
- NSC 74453
- 1-Chloro-4-cyano-2,6-dinitrobenzene
Work with 4-Chloro-3,5-dinitrobenzonitrile
Similar compounds
4-Chloro-3-nitrobenzonitrile939-80-064 % similar
Picryl chloride88-88-059 % similar
3,5-Dinitrobenzonitrile4110-35-458 % similar
2-Chloro-5-methyl-1,3-dinitrobenzene5264-65-356 % similar
4-Fluoro-3-nitrobenzonitrile1009-35-455 % similar
4-Cyano-2-nitrophenol3272-08-055 % similar
4-Amino-3-nitrobenzonitrile6393-40-455 % similar
4-Bromo-3-nitrobenzonitrile89642-49-955 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.