89-41-8

Name 4-Methoxy-3-nitrobenzoic acid
CAS 89-41-8
EINECS(EC#) 201-906-0
Molecular Formula C8H7NO5
MDL Number MFCD00007256
Molecular Weight 197.14
MOL File 89-41-8.mol
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Chemical Properties

Appearance light yellow crystalline powder
Melting point  192-194 °C (lit.)
Boiling point  334.23°C (rough estimate)
density  1.5023 (rough estimate)
vapor pressure  0.001Pa at 20℃
refractive index  1.5700 (estimate)
storage temp.  Sealed in dry,Room Temperature
form  Crystalline Powder
pka 3.85±0.10(Predicted)
color  Light yellow
BRN  2115073
InChI 1S/C8H7NO5/c1-14-7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4H,1H3,(H,10,11)
InChIKey ANXBDAFDZSXOPQ-UHFFFAOYSA-N
SMILES COc1ccc(cc1[N+]([O-])=O)C(O)=O
LogP 1.41 at 23℃ and pH6.3-6.6
CAS DataBase Reference 89-41-8(CAS DataBase Reference)
NIST Chemistry Reference Benzoic acid, 4-methoxy-3-nitro-(89-41-8)
EPA Substance Registry System 89-41-8(EPA Substance)

Safety Data

Hazard Codes  Xi
Risk Statements 
Safety Statements 
S24/25:Avoid contact with skin and eyes .
WGK Germany  1
TSCA  Yes
REACH Registrations Active
HazardClass  IRRITANT
HS Code  29189900
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

Raw materials And Preparation Products

Hazard Information

Material Safety Data Sheet(MSDS)

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