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Sigma-Aldrich

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
EC Number:
231-807-8
MDL number:
MFCD00134176
UNSPSC Code:
12352100
PubChem Substance ID:
24861989
NACRES:
NA.22

Assay

98%

form

solid

bp

254-257 °C (lit.)

mp

27-30 °C (lit.)

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
GHS06

Signal Word

Danger

Hazard Statements

H301,H315,H319,H335

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

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

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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)
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
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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