3,5-Dibromo-4-methylaniline

C₇H₇Br₂NCAS 13194-73-5264.95 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₇H₇Br₂N
Molar mass: 264.95 g/mol
Exact mass: 262.8945 Da
logP: 3.10Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

13194-73-5

SMILES

CC1=C(C=C(C=C1Br)N)Br

InChIKey

AQZDIKCNODUMNY-UHFFFAOYSA-N

InChI

InChI=1S/C7H7Br2N/c1-4-6(8)2-5(10)3-7(4)9/h2-3H,10H2,1H3

Weigh it out

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

Work with 3,5-Dibromo-4-methylaniline

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

2,4,6-Tribromotoluene6320-40-757 % similar 3,5-Dibromo-4-methylphenol13979-81-252 % similar 4-Amino-2,6-dibromophenol609-21-252 % similar 3-Bromo-4-methylaniline7745-91-752 % similar 1,5-Dibromo-2,4-bis-bromomethyl-benzene35510-03-350 % similar 5-Amino-3-bromo-2-methylpyridine186593-43-148 % similar 3,4-Dibromobenzenamine615-55-448 % similar 2,6-Dibromotoluene69321-60-448 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,6-Dibromo-3,5-dimethylpyridine117846-58-9 2,6-Dibromo-4-methylaniline6968-24-7 2,6-Bis(bromomethyl)pyridine7703-74-4

Elsewhere

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