5-Iodosalicylic acid (HCID 8388)

Overview

RN given refers to parent cpd

Names & identifiers

Preferred name: 5-Iodosalicylic acid
IUPAC: 2-hydroxy-5-iodobenzoic acid
English name: 5-Iodosalicylic acid
Molecular formula: C7H5IO3
Molecular weight: 264.02

Names & synonyms

5-Iodosalicylic acid2-Hydroxy-5-iodobenzoic acid119-30-2Benzoic acid, 2-hydroxy-5-iodo-DTXSID10152281NSC-27893A6XQF5B67RefChem:102972DTXCID4074772204-313-5MFCD000024585-IODO-2-HYDROXYBENZOIC ACID

Show more names

5-Iodosalicylic5-iodo-salicylicaciRARECHEM AL BE 08245-lodosalicylic acid5-iodinsalicylic acidLABOTEST-BB LT004547185-IodosalicylicAcid>2-hydroxy-5-iodobenzoate

SALICYLIC ACID, 5-IODO-EINECS 204-313-55-Iodosalycilic acid, Tech.BRN 20904432-hydroxy-5-iodo-benzoic acid5-iodosalicyclic acidSCHEMBL129664BS-14523

Database identifiers

CAS: 119-30-2
PubChem CID: 8388
DTXSID: DTXSID10152281
ChEMBL: CHEMBL3278559
UNII: 3A6XQF5B67
EC Number: 204-313-5
Nikkaji: J49.714B

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 57.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 160

Experimental & physicochemical properties

LogP2.63

Physicochemical properties

Melting point: 189 · 189-191 °C (lit.)
Boiling point: 371.4 · 371.4±37.0 °C(Predicted)
Density: 1.9394 · 1.9394 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Solubility in methanol is almost transparent.
pka: 2.67 · 2.67±0.10(Predicted)
form: Powder
color: White to slightly beige
Sensitive: Light Sensitive
BRN: 2090443 · 2090443
Stability: Stable under recommended storage conditions., Stable Under Recommended Storage C
InChI: InChI=1S/C7H5IO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)
InChIKey: SWDNKOFGNPGRPI-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC(I)=CC=C1O
CAS DataBase Reference: 119 · 119-30-2(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39-36
WGK Germany: 3 · 3
RTECS: 4200000 · VO4200000
HS Code: 29182990 · 29182990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (98.3%): Causes skin irritation [Warning Skin corrosion/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 59 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (98.3%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
rtecs: VO4200000
hs_code: 29182990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39-36
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses2-hydroxy-5-iodobenzoic acid is a reagent in various organic chemical reactions leading to pharmaceutical compounds. It is involved in the synthesis of labeled benzamide analogs for tumor imaging as well as the synthesis of the dye, Congo Red, for biological analyses.