136883
4-Methyl-3,5-dinitrobenzoic acid
98%
Synonym(s):
3,5-Dinitro-4-methylbenzoic acid, 3,5-Dinitro-p-toluic acid
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About This Item
Linear Formula:
(O2N)2C6H2(CH3)CO2H
CAS Number:
Molecular Weight:
226.14
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
240-603-8
Beilstein/REAXYS Number:
2507949
MDL number:
Assay:
98%
Form:
solid
Quality Segment
assay
98%
form
solid
mp
155-158 °C (lit.)
solubility
methanol: soluble 250 mg/10 mL, clear, faintly yellow to yellow
functional group
carboxylic acid, nitro
SMILES string
Cc1c(cc(cc1[N+]([O-])=O)C(O)=O)[N+]([O-])=O
InChI
1S/C8H6N2O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3,(H,11,12)
InChI key
LZWWZQXBKVZKIP-UHFFFAOYSA-N
Application
4-Methyl-3,5-dinitrobenzoic acid was used in characterization of the range of highly polar nitroaromatic compounds in water samples from a trinitrotoluene-contaminated waste disposal site. It was used as starting reagent for the asymmetric synthesis of the benzazocine core of FR900482.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
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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