p-Nitrophenylhydrazine hydrochloride

C₆H₈ClN₃O₂CAS 636-99-7189.60 g/mol

Open in Covalent MOL file

Nitro Primary amine Secondary amine

Properties

Molecular formula: C₆H₈ClN₃O₂
Molar mass: 189.60 g/mol
Exact mass: 189.0305 Da
Melting point: 196–197 °C
logP: 1.30Crippen estimate
Polar surface area: 81.2 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

Hazards

Danger

H228 Flammable solid82.6% of notifiers
H302+H312 Harmful if swallowed or in contact with skin82.6% of notifiers
H302 Harmful if swallowed97.8% of notifiers
H312 Harmful in contact with skin95.7% of notifiers
H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction84.8% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled13% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P240, P241, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, P501

Identifiers

CAS number

636-99-7

SMILES

Cl.NNc1ccc([N+](=O)[O-])cc1

InChIKey

ZWWXDCOPVYATOQ-UHFFFAOYSA-N

InChI

InChI=1S/C6H7N3O2.ClH/c7-8-5-1-3-6(4-2-5)9(10)11;/h1-4,8H,7H2;1H

Weigh it out

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

Names and synonyms

6 names

Hydrazine, (4-nitrophenyl)-, hydrochloride (1:1)
Hydrazine, (p-nitrophenyl)-, hydrochloride
Hydrazine, (4-nitrophenyl)-, monohydrochloride
4-Nitrophenylhydrazine monohydrochloride
2-(4-Nitrophenyl)hydrazinium chloride
4-Nitrophenylhydrazine hydrochloride

Work with p-Nitrophenylhydrazine hydrochloride

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(4-Nitrophenyl)hydrazine100-16-3Free base

Similar compounds

1,4-Dinitrobenzene100-25-458 % similar N-Methyl-4-nitroaniline100-15-256 % similar p-Nitrobenzylamine hydrochloride18600-42-556 % similar 4-Nitrodiphenylamine836-30-655 % similar 2-(4-Nitrophenyl)ethylamine hydrochloride29968-78-354 % similar 4,4'-Dinitrocarbanilide587-90-653 % similar L-Alanine-4-nitroanilide hydrochloride31796-55-152 % similar 4,4'-Dinitro-1,1'-biphenyl1528-74-152 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

o-Nitrophenylhydrazine hydrochloride6293-87-4 m-Nitrophenylhydrazine hydrochloride636-95-3

Elsewhere

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