4-Nitrobenzoic acid Structure

4-Nitrobenzoic acid

Chemical Properties

Melting point 237-240 °C(lit.)
Boiling point 295.67°C (rough estimate)
bulk density 700kg/m3
Density  1.61
refractive index  1.6280 (estimate)
Flash point 237 °C
storage temp.  Store below +30°C.
solubility  0.42g/l
form  Crystalline Powder
pka 3.41(at 25℃)
color  Light yellow
PH 3.1 (0.42g/l, H2O, 20℃)(saturated solution)
Water Solubility  <0.1 g/100 mL at 26 ºC
Merck  14,6589
BRN  973593
Specific Activity 50-60 mCi/mmol
Concentration 0.1 mCi/ml
Solvent Ethanol
Henry's Law Constant 3.2×103 mol/(m3Pa) at 25℃, Abraham and Jr. (2019)
Stability Stable. Combustible. Incompatible with strong oxidizing agents, cyanides, strong bases.
InChI 1S/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10)
InChIKey OTLNPYWUJOZPPA-UHFFFAOYSA-N
SMILES OC(=O)c1ccc(cc1)[N+]([O-])=O
LogP 1.890
Toxicology and Carcinogenesis Toxicology and Carcinogenesis Studies of p-Nitrobenzoic Acid (CASRN 62-23-7) in F344/N Rats and B6C3F1 Mice (Feed Studies)
CAS DataBase Reference 62-23-7(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII G83NWR61OW
NIST Chemistry Reference Benzoic acid, 4-nitro-(62-23-7)
EPA Substance Registry System p-Nitrobenzoic acid (62-23-7)
UNSPSC Code 41116107
NACRES NA.24

Safety

Symbol(GHS) GHS hazard pictogramsGHS hazard pictograms
Signal wordWarning
Hazard statements H302-H315-H319-H341-H351-H361fd
Precautionary statements P202-P264-P301+P312-P302+P352-P305+P351+P338-P308+P313
Hazard Codes  Xn
Risk Statements  22-41-36
Safety Statements  26-39-24/25
WGK Germany  1
RTECS  DH5075000
TSCA  TSCA listed
HS Code  29163900
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Carc. 2
Eye Irrit. 2
Muta. 2
Repr. 2
Skin Irrit. 2
Hazardous Substances Data 62-23-7(Hazardous Substances Data)
Toxicity LD50 orally in Rabbit: 1960 mg/kg
NFPA 704:
1
2 0

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