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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 3062438Generated: October 23, 2026

4-Nitroisophthalic acid

4-nitrobenzene-1,3-dicarboxylic acid · 4-Nitroisophthalicaci · 4-Nitroisophthalic aid · Nitroisophathalic Acid · 4-Nitroisophthalic acid · 4-Nitroisophathalic Acid · 4-NITRO-1,3-DICARBOXYLIC ACID · 4-NITROPHENYL-1,3-DICARBOXYLIC ACID

https://huagongshe.com/en/chemical/3062438

4-Nitroisophthalic acid molecular structure

Identifiers & Physical Properties

CAS No.4315-09-7
Molecular formulaC8H5NO6
Average molar mass211.13 g/mol
Monoisotopic mass211.01168688 g/mol
SMILESO=C(O)c1ccc([N+](=O)[O-])c(C(=O)O)c1
InChIKeyOCJFXVHDIVAONP-UHFFFAOYSA-N
PubChem CID3062438
EC No.610-110-6
DTXSIDDTXSID20388913

Chemical & Physical Properties

XLogP1
Topological polar surface area120
Hydrogen bond donors2
Hydrogen bond acceptors6
Rotatable bonds2
Heavy atoms15
Formal charge0
Complexity296
Melting point258-259°C
Boiling point492.9±40.0 °C(Predicted)
Density1.671±0.06 g/cm3(Predicted)
Storage conditionsSealed in dry,Room Temperature
pKa (acidity coefficient)1.86±0.25(Predicted)
AppearanceWhite to yellow Solid
InChIInChI=1S/C8H5NO6/c10-7(11)4-1-2-6(9(14)15)5(3-4)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKeyOCJFXVHDIVAONP-UHFFFAOYSA-N
SMILESC1(C(O)=O)=CC=C([N+]([O-])=O)C(C(O)=O)=C1
GHS pictogramGHS07
Signal wordWarning
GHS hazard statementsH302-H315-H319-H332-H335
GHS precautionary statementsP261-P280-P305+P351+P338
Risk statements (R)36/37/38
Safety statements (S)26-36/37/39-36
Hazard classIRRITANT
Customs code29173990

Safety & Regulations

GHS classificationWarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%)
Customs code29173990
Risk statements (R)36/37/38
Signal wordWarning
GHS pictogramGHS07
Safety statements (S)26-36/37/39-36
Hazard classIRRITANT
GHS hazard statementsH302-H315-H319-H332-H335
GHS precautionary statementsP261-P280-P305+P351+P338