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Merck
CN

360619

3-Bromo-4-methylaniline

98%

Synonym(s):

3-Bromo-p-toluidine

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About This Item

Linear Formula:
Br(CH3)C6H3NH2
CAS Number:
Molecular Weight:
186.05
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
231-807-8
MDL number:
Assay:
98%
Form:
solid
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assay

98%

form

solid

bp

254-257 °C (lit.)

mp

27-30 °C (lit.)

functional group

bromo

SMILES string

Cc1ccc(N)cc1Br

InChI

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

InChI key

GRXMMIBZRMKADT-UHFFFAOYSA-N

Application

3-Bromo-4-methylaniline may be used in the synthesis of 1,7-dihalo Tröger′s base isomers. It is suitable for use to investigate the reactions of distonic 4-(N,N,N-trimethylammonium)-2-methylphenyl and 5-(N,N,N-trimethylammonium)-2-methylphenyl radical cations with O2 by ion-trap mass spectrometry.


pictograms

Skull and crossbones

signalword

Danger

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges

Regulatory Information

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Matthew B Prendergast et al.
Physical chemistry chemical physics : PCCP, 15(47), 20577-20584 (2013-11-05)
The reactions of distonic 4-(N,N,N-trimethylammonium)-2-methylphenyl and 5-(N,N,N-trimethylammonium)-2-methylphenyl radical cations (m/z 149) with O2 are studied in the gas phase using ion-trap mass spectrometry. Photodissociation (PD) of halogenated precursors gives rise to the target distonic charge-tagged methylphenyl radical whereas collision-induced dissociation
Annika Schulze et al.
Thrombosis research, 134(1), 174-181 (2014-05-13)
The key feature of heparin-induced thrombocytopenia (HIT) is the production of antibodies (Ab) against the platelet factor 4 (PF4)/heparin complex. These Ab are directed against neoepitopes of the PF4 tetramer, which are induced by the complex formation with heparin. To
Halogenation of Troger's base analogues.
Faroughi M, et al.
ARKIVOC (Gainesville, FL, United States), 2, 269-280 (2009)



Global Trade Item Number

SKUGTIN
360619-5G04061832099637