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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:
7745-91-7
Molecular Weight:
186.05
NACRES:
NA.22
PubChem Substance ID:
24861989
UNSPSC Code:
12352100
EC Number:
231-807-8
MDL number:
MFCD00134176
Assay:
98%
Form:
solid

Key Documents

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InChI key

GRXMMIBZRMKADT-UHFFFAOYSA-N

InChI

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

SMILES string

Cc1ccc(N)cc1Br

assay

98%

form

solid

bp

254-257 °C (lit.)

mp

27-30 °C (lit.)

functional group

bromo

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
GHS06

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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Certificates of Analysis (COA)

Lot/Batch Number
MKBZ2095V
MKBJ0912V
16198LJ
04519LH
15810BE

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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
Matthew B Prendergast et al.
Physical chemistry chemical physics : PCCP, 18(6), 4320-4332 (2015-10-29)
Gas-phase product detection studies of o-hydroxyphenyl radical and O2 are reported at 373, 500, and 600 K, at 4 Torr (533.3 Pa), using VUV time-resolved synchrotron photoionisation mass spectrometry. The dominant products are assigned as o-benzoquinone (C6H4O2, m/z 108) and
Halogenation of Troger's base analogues.
Faroughi M, et al.
ARKIVOC (Gainesville, FL, United States), 2, 269-280 (2009)
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
Laura Kerosuo et al.
Molecular biology of the cell, 25(3), 347-355 (2013-12-07)
Myc interacting zinc finger protein-1 (Miz1) is a transcription factor known to regulate cell cycle- and cell adhesion-related genes in cancer. Here we show that Miz1 also plays a critical role in neural crest development. In the chick, Miz1 is
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