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154253

Sigma-Aldrich

4-Bromo-2-methylaniline

97%

Synonym(s):

2-Amino-5-bromotoluene, 4-Bromo-o-toluidine

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About This Item

Linear Formula:
BrC6H3(CH3)NH2
CAS Number:
583-75-5
Molecular Weight:
186.05
EC Number:
209-519-9
MDL number:
MFCD00007825
UNSPSC Code:
12352100
PubChem Substance ID:
24849418
NACRES:
NA.22

Assay

97%

bp

240 °C (lit.)

mp

57-59 °C (lit.)

SMILES string

Cc1cc(Br)ccc1N

InChI

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

InChI key

PCHYYOCUCGCSBU-UHFFFAOYSA-N

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Application

4-Bromo-2-methylaniline was used in the preparation of 4-Bromo-2-methylphenol.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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QSAR for the cytotoxicity of 2-alkyl or 2, 6-dialkyl, 4-X-phenols: the nature of the radical reaction.
J. Chem. Soc. Perkin Trans. II, 6, 1112-1117 (2002)
Anton Georgiev et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 175, 76-91 (2016-12-27)
In this paper three different "push-pull" 4-aminoazobenzene dyes have been synthesized in order to characterize their photochromic behavior in different solvents. The molecular geometry was optimized by DFT/B3LYP functional combined with the standard 6-31+G(d,p) basis set for trans (E) and

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