Home > Compound List > Compound details
619-19-2 molecular structure
click picture or here to close

2-hydroxy-4-nitrobenzoic acid

ChemBase ID: 69185
Molecular Formular: C7H5NO5
Molecular Mass: 183.1183
Monoisotopic Mass: 183.01677227
SMILES and InChIs

SMILES:
C(=O)(c1c(O)cc(cc1)[N+](=O)[O-])O
Canonical SMILES:
OC(=O)c1ccc(cc1O)[N+](=O)[O-]
InChI:
InChI=1S/C7H5NO5/c9-6-3-4(8(12)13)1-2-5(6)7(10)11/h1-3,9H,(H,10,11)
InChIKey:
UKWUOTZGXIZAJC-UHFFFAOYSA-N

Cite this record

CBID:69185 http://www.chembase.cn/molecule-69185.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-hydroxy-4-nitrobenzoic acid
IUPAC Traditional name
2-hydroxy-4-nitrobenzoic acid
Synonyms
4-Nitrosalicylic acid
2-Hydroxy-4-nitrobenzoic acid
4-硝基水杨酸
CAS Number
619-19-2
EC Number
210-584-0
MDL Number
MFCD00071505
PubChem SID
24847317
162034914
PubChem CID
69266

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.86701  H Acceptors
H Donor LogD (pH = 5.5) -1.3599749 
LogD (pH = 7.4) -1.6082021  Log P 1.9172475 
Molar Refractivity 41.6156 cm3 Polarizability 15.350476 Å3
Polar Surface Area 100.67 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
235-239 °C(lit.) expand Show data source
Storage Warning
IRRITANT expand Show data source
RTECS
VO5300100 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
TSCA Listed
false expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
95+% expand Show data source
97% expand Show data source
Linear Formula
HOC6H3(NO2)CO2H expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 117188 external link
Packaging
25 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle