196061
4-Methoxy-3-nitrobenzoic acid
98%
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About This Item
Linear Formula:
CH3OC6H3(NO2)CO2H
CAS Number:
Molecular Weight:
197.14
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
201-906-0
MDL number:
Assay:
98%
Quality Level
assay
98%
mp
192-194 °C (lit.)
SMILES string
COc1ccc(cc1[N+]([O-])=O)C(O)=O
InChI
1S/C8H7NO5/c1-14-7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4H,1H3,(H,10,11)
InChI key
ANXBDAFDZSXOPQ-UHFFFAOYSA-N
Application
4-Methoxy-3-nitrobenzoic acid was used in the synthesis of:
- BIPHEP-1-OMe [BIHEP= (2,2′-bis(diphenylphosphino)biphenyl)], precatalyst for reductive coupling of butadiene to aldehydes
- aniline mustard analogues, having potential anti-tumor activity
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral
Storage Class
11 - Combustible Solids
wgk
WGK 1
flash_point_f
Not applicable
flash_point_c
Not applicable
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Jason R Zbieg et al.
Advanced synthesis & catalysis, 352(14-15), 2416-2420 (2010-12-18)
Exposure of alcohols 1a-1i to butadiene in the presence of a cyclometallated iridium catalyzed derived from allyl acetate, 4-methoxy-3-nitrobenzoic acid and BIPHEP (2,2'-bis(diphenylphosphino)biphenyl) results in hydrogen transfer to generate aldehyde-allyliridium pairs, which engage in C-C coupling to form products of
B G Choi et al.
Archives of pharmacal research, 21(2), 157-163 (1999-01-06)
Several aniline mustard analogues were obtained by introducing N,N-bis(2-chloroethyl)amino moiety to phenyl ring of A10 analogues in order to increase reactivity of A10 analogs and selectivity into DNA. The in vitro antitumor activity of synthesized compounds was evaluated using five
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 196061-25G | 04061831819069 |
| 196061-100G | 04061831838091 |