4-Bromo-2-methylaniline

Name: 4-Bromo-2-methylaniline
Brand: ALDRICH
Price: 80.8 USD
Availability: InStock

97%

Synonym(s):

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

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25 G

$80.80

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About This Item

Linear Formula:

BrC₆H₃(CH₃)NH₂

CAS Number:

583-75-5

Molecular Weight:

186.05

NACRES:

NA.22

PubChem Substance ID:

24849418

UNSPSC Code:

12352100

EC Number:

209-519-9

MDL number:

MFCD00007825

Assay:

97%

Key Documents

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InChI key

PCHYYOCUCGCSBU-UHFFFAOYSA-N

InChI

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

SMILES string

Cc1cc(Br)ccc1N

assay

97%

bp

240 °C (lit.)

mp

57-59 °C (lit.)

functional group

bromo

Quality Level

100

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Organic Building Blocks

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Show Differences

1 of 4

This Item	154261	658367	M59386
Sigma-Aldrich 154253 4-Bromo-2-methylaniline	Sigma-Aldrich 154261 4-Bromo-3-methylaniline	Sigma-Aldrich 658367 3,5-Dibromo-4-methylaniline	Sigma-Aldrich M59386 2-Methyl-5-nitroaniline
assay 97%	assay 97%	assay 97%	assay 98%
Quality Level 100	Quality Level 200	Quality Level 100	Quality Level 100
bp 240 °C (lit.)	bp 240 °C (lit.)	bp -	bp -
mp 57-59 °C (lit.)	mp 80-82 °C (lit.)	mp 90-94 °C	mp 103-106 °C (lit.)
functional group bromo	functional group bromo	functional group bromo	functional group -

Application

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

pictograms

GHS07

signalword

Warning

hcodes

H302 + H312 + H332,H315,H319,H335

pcodes

P261 - P280 - P301 + P312 - P302 + P352 + P312 - P304 + P340 + P312 - P305 + P351 + P338

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

11 - Combustible Solids

wgk

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Gloves

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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)

Synthesis, structure, spectral properties and DFT quantum chemical calculations of 4-aminoazobenzene dyes. Effect of intramolecular hydrogen bonding on photoisomerization.

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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