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About This Item
Linear Formula:
H2NC6H3(CH3)OH
CAS Number:
Molecular Weight:
123.15
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
220-621-2
Beilstein/REAXYS Number:
2078803
MDL number:
Assay:
97%
Form:
solid
Quality Segment
assay
97%
form
solid
mp
176-179 °C (lit.)
SMILES string
Cc1cc(O)ccc1N
InChI
1S/C7H9NO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,8H2,1H3
InChI key
QGNGOGOOPUYKMC-UHFFFAOYSA-N
General description
4-Amino-3-methylphenol is a metabolite of 3-methyl-4-nitrophenol. It is a major metabolite of carcinogenic o-toluidine and causes DNA damage in the presence of Cu(II).
Application
4-Amino-3-methylphenol was used in synthesis of a new type of tweezer-molecule in which a strongly preferred binding conformation is generated by convergent, intramolecular hydrogen bonding.
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signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Skin Sens. 1A
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
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