(4-Bromophenyl)hydrazine

C6H7BrN2CAS 589-21-9187.04 g/mol

Open in Covalent MOL file
H2NNHBr
Aryl halidePrimary amineSecondary amine

Properties

Molecular formula
C6H7BrN2
Molar mass
187.04 g/mol
Exact mass
185.9793 Da
Melting point
108 °C
logP
1.73Crippen estimate
Polar surface area
38.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
589-21-9
SMILES
NNc1ccc(Br)cc1
InChIKey
NRESDXFFSNBDGP-UHFFFAOYSA-N
InChI
InChI=1S/C6H7BrN2/c7-5-1-3-6(9-8)4-2-5/h1-4,9H,8H2
Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 7.32 (d, J = 7.7 Hz, 2H), 6.48 (d, J = 7.7 Hz, 2H), 3.60 (br s, 1H), 1.20 (br s, 2H).
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 148.3, 132.5, 114.5, 111.7.
[M + H]+
[M + H]+ Calcd for C6H8BrN2 186.9865
[M + Na]+
[M + Na]+ Calcd for C6H7BrN2Na 208.9685
[M − H]−
[M − H]− Calcd for C6H6BrN2 184.9720
Elemental analysis
Anal. Calcd for C6H7BrN2: C, 38.53; H, 3.77; N, 14.98.

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Names and synonyms

6 names
  • Hydrazine, (4-bromophenyl)-
  • Hydrazine, (p-bromophenyl)-
  • (p-Bromophenyl)hydrazine
  • 1-(4-Bromophenyl)hydrazine
  • NSC 190724
  • 4-Bromophenylhydrazine

Work with (4-Bromophenyl)hydrazine

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-Bromophenylhydrazine hydrochloride622-88-8Salt p-Bromophenylhydrazine hydrochloride41931-18-4Salt

Similar compounds

Bis(4-bromophenyl)amine16292-17-460 % similar 1,4-Dibromobenzene106-37-653 % similar 4-Bromo-N-methylaniline6911-87-152 % similar 4-Bromodiphenylamine54446-36-550 % similar 4-(4-Bromophenyl)thiosemicarbazide2646-31-348 % similar (4-Chlorophenyl)hydrazine1073-69-448 % similar 4-Iodophenylhydrazine13116-27-348 % similar (4-Methylphenyl)hydrazine539-44-648 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Bromo-N-methylpyridin-3-amine1022641-52-6 4-Amino-5-bromo-2-methylpyridine10460-50-1 2-Amino-3-bromo-6-methylpyridine126325-46-0 6-Bromo-2-methyl-3-pyridinamine126325-47-1 4-Bromo-2-methyl-3-pyridinamine126325-48-2 2-Bromo-4-methyl-3-pyridinamine126325-50-6 2-Bromo-6-methyl-3-pyridinamine126325-53-9 6-Bromo-4-methylpyridin-3-amine156118-16-0

Elsewhere

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