CAS 6933-10-4|3-methyl-4-bromoaniline|4-bromo-3-methylaniline|4-bromo-3-methylaniline|4-Bromo-3-methylaniline 98%|5-Amino-2-bromotoluene|4-溴-3-甲基苯胺|4-Bromo-m-toluidine|4-Bromo-3-methylaniline|4-...

General Information

Structure

Molecular Formula

C₇H₈BrN

Molecular Mass

186.04912

Exact Mass

184.98401126

Charge

0

InChI

InChI=1S/C7H8BrN/c1-5-4-6(9)2-3-7(5)8/h2-4H,9H2,1H3

InChIKey

MMEGELSFOYDPQW-UHFFFAOYSA-N

Canonic Smiles

Nc1ccc(c(c1)C)Br

Isomeric Smiles

Nc1cc(c(cc1)Br)C

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

2.4087856

LogD (pH = 7.4)

2.4262664

Log P

2.426494

Molar Refractivity

43.4224

Polarizability

16.006859

Polar Surface Area

26.02

Rotatable Bonds

0

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

3-methyl-4-bromoaniline

IUPAC name

4-bromo-3-methylaniline

Synonyms

4-bromo-3-methylaniline4-Bromo-3-methylaniline 98%5-Amino-2-bromotoluene4-Bromo-m-toluidine4-溴-3-甲基苯胺4-Bromo-3-methylaniline4-溴-间甲苯胺

Names and Identifiers

Registration numbers

PubChem SID

PubChem CID

MDL Number

CAS Number

EC Number

Beilstein Number

Registration numbers

Properties

Product Information

Purity

97%

Certificate of Analysis

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Linear Formula

BrC6H3(CH3)NH2

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

MP Biomedicals

05215731

MP Biomedicals Rare Chemical collection

Sigma Aldrich

154261

Packaging
10, 50 g in glass bottle

Molecule Details

References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

Molecule

ID:73355