154253
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:
Molecular Weight:
186.05
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
209-519-9
MDL number:
Assay:
97%
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
Related Categories
Application
4-Bromo-2-methylaniline was used in the preparation of 4-Bromo-2-methylphenol.
signalword
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
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
Regulatory Information
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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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