2-Chloro-4-nitrobenzhydrazide

C₇H₆ClN₃O₃CAS 67345-78-2215.59 g/mol

Open in Covalent MOL file

Amide Aryl halide Nitro Primary amine

Properties

Molecular formula: C₇H₆ClN₃O₃
Molar mass: 215.59 g/mol
Exact mass: 215.0098 Da
logP: 0.85Crippen estimate
Polar surface area: 98.3 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

67345-78-2

SMILES

C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)NN

InChIKey

XLDHQBNLMQYVBC-UHFFFAOYSA-N

InChI

InChI=1S/C7H6ClN3O3/c8-6-3-4(11(13)14)1-2-5(6)7(12)10-9/h1-3H,9H2,(H,10,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 2-Chloro-4-nitrobenzhydrazide

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Chloro-4-nitrobenzoyl chloride7073-36-162 % similar 2'-Chloro-4'-nitroacetophenone67818-41-160 % similar 2-Chloro-4-nitrobenzoic acid99-60-560 % similar 2,4-Dichlorobenzhydrazide5814-06-259 % similar 4-Nitrobenzoic acid hydrazide636-97-559 % similar Methyl 2-chloro-4-nitrobenzoate13324-11-357 % similar Aklomide3011-89-056 % similar 1,2-Dichloro-4-nitrobenzene99-54-754 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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