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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 1517322Generated: October 23, 2026

4-Iodo-3-methylbenzoic acid

4-IODO-M-TOLUIC ACID · Suvorexant Impurity 32 · 4-Iodo-3-methylbenzoicaci · 4-IODO-3-METHYLBENZOIC ACID · Benzoic acid, 4-iodo-3-methyl-

https://huagongshe.com/en/chemical/1517322

4-Iodo-3-methylbenzoic acid molecular structure

Identifiers & Physical Properties

CAS No.52107-87-6
Molecular formulaC8H7IO2
Average molar mass262.04 g/mol
Monoisotopic mass261.94908 g/mol
SMILESCc1cc(C(=O)O)ccc1I
InChIKeyDKMIWBBIVNNAMG-UHFFFAOYSA-N
PubChem CID1517322
EC No.674-185-7
DTXSIDDTXSID00363985

Chemical & Physical Properties

XLogP2.5
Topological polar surface area37.3
Hydrogen bond donors1
Hydrogen bond acceptors2
Rotatable bonds1
Heavy atoms11
Formal charge0
Complexity158
Melting point223-225°C
Boiling point327.7±30.0 °C(Predicted)
Density1.867±0.06 g/cm3(Predicted)
Storage conditionsKeep in dark place,Sealed in dry,Room Temperature
pKa (acidity coefficient)4.09±0.10(Predicted)
AppearanceWhite to off-white Solid
CAS DataBase Reference52107-87-6(CAS DataBase Reference)
GHS pictogramGHS07
Signal wordWarning
GHS hazard statementsH302-H315-H319-H335
GHS precautionary statementsP261-P280-P301+P312-P302+P352-P305+P351+P338
Risk statements (R)36/37/38
Safety statements (S)26-36/37/39
Hazard classLIGHT SENSITIVE
Customs code2916399090

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 (66.7%): 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)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (66.7%)
Customs code2916399090
Risk statements (R)36/37/38
Signal wordWarning
GHS pictogramGHS07
Safety statements (S)26-36/37/39
Hazard classLIGHT SENSITIVE
GHS hazard statementsH302-H315-H319-H335
GHS precautionary statementsP261-P280-P301+P312-P302+P352-P305+P351+P338