2-Hydroxy-4-iodobenzoic acid

HCID 72874

Notes Reactions

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Basic information

CAS: 16870-28-3
Standard SMILES: O=C(O)c1ccc(I)cc1O
InChIKey: UQOZVZTUJNRMBV-UHFFFAOYSA-N
Molecular formula: C7H5IO3
Average molar mass: 264.02 g/mol
Monoisotopic mass: 263.92834202

Names & identifiers

Preferred name: 2-Hydroxy-4-iodobenzoic acid
IUPAC: 2-hydroxy-4-iodobenzoic acid
English name: 2-Hydroxy-4-iodobenzoic acid
Molecular formula: C7H5IO3
Molecular weight: 264.02

Names & synonyms

2-Hydroxy-4-iodobenzoic acid16870-28-34-Iodosalicylic acidDTXSID00168598RefChem:99482DTXCID8091089Benzoic acid, 2-hydroxy-4-iodo-2-hydroxy-4-iodo-benzoic acidMFCD00061127NSC 1090962-Hydroxy-4-iodobenzoic acid, 97%NSC109096

Show more names

2-Hydroxy-4-iodobenzoic acid 97%

NSC-109096AS-37621CS-0103689Benzoic acid,2-hydroxy-4-iodo-4-iodo salicylic acid4-iodo-salicylic acidAI3-33606A20354

Database identifiers

CAS: 16870-28-3
PubChem CID: 72874
DTXSID: DTXSID00168598
EC Number: 605-527-5
Nikkaji: J1.245.207A

Properties

Computed structural properties

XLogP: 3.3
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

Physicochemical properties

Melting point: 229 · 229-234 °C
Boiling point: 362.6 · 362.6±37.0 °C(Predicted)
Density: 2.155 · 2.155±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: powder
pka: 2.7 · 2.70±0.10(Predicted)
color: Off white
InChI: 1S/C7H5IO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,(H,10,11)
InChIKey: UQOZVZTUJNRMBV-UHFFFAOYSA-N
SMILES: OC(=O)c1ccc(I)cc1O
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS06
Signal word: Danger
Hazard statements: 301 · H301-H318
Precautionary statements: 280 · P280-P301+P310+P330-P305+P351+P338+P310
Hazard Codes: C,T
Risk Statements: 25 · 25-41
Safety Statements: 26 · 26-39-45
RIDADR: 2811 · UN 2811 6.1 / PGIII
WGK Germany: 1 · 1
HazardClass: IRRITANT
HS Code: 2918210000 · 2918210000
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 OralEye · Acute Tox. 3 OralEye Dam. 1

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Safety data

wgk: 1
ridadr: UN 2811 6.1 / PGIII
hs_code: 2918210000
risk_code: 25-41
Signal word: Danger
Symbol(GHS): GHS05,GHS06
hazard_code: C,T
safety_code: 26-39-45
hazard_class: IRRITANT
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard statements: H301-H318
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1
Precautionary statements: P280-P301+P310+P330-P305+P351+P338+P310