CAS 58123-77-6 3-Hydroxy-4-iodobenzoic acid (HCID 736854)

Names & identifiers

Preferred name: 3-Hydroxy-4-iodobenzoic acid
IUPAC: 3-hydroxy-4-iodobenzoic acid
English name: 3-Hydroxy-4-iodobenzoic acid
Molecular formula: C7H5IO3
Molecular weight: 264.02

Names & synonyms

3-Hydroxy-4-iodobenzoic acid58123-77-6DTXSID60353120RefChem:94156DTXCID70304183625-327-1MFCD020683863-Hydroxy-4-iodo-benzoic acid3-Hydroxy-4-iodobenzoicacidC7H5IO3Benzoic acid, 3-hydroxy-4-iodo-SCHEMBL351139

Show more names

RARECHEM AL BE 09643-Hydroxy-4-Iodobenzoic4-IODO-3-HYDROXY BENZOIC ACID3-Hydroxy-4-iodobenzoic Acid >3-Hydroxy-4-iodobenzoic acid 97%Acetylchloride,2-[6-(trifluoromethyl)phenoxy]-

3-Hydroxy-4-iodobenzoic acid, 97%AKOS007930832CS-W008049AB10648H1496Z1269202149Lifitegrast Impurity N4AM20040772

Database identifiers

CAS: 58123-77-6
PubChem CID: 736854
DTXSID: DTXSID60353120
EC Number: 625-327-1
Nikkaji: J1.695.247H

Properties

Computed structural properties

XLogP: 1.7
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: 225 · 225-229 °C
Boiling point: 319.8 · 319.8±32.0 °C(Predicted)
Density: 2.155 · 2.155±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
form: powder to crystal
pka: 3.9 · 3.90±0.10(Predicted)
color: White to Almost white
Sensitive: Light Sensitive
InChI: InChI=1S/C7H5IO3/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,9H,(H,10,11)
InChIKey: UABBBWVTEWIIMN-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC=C(I)C(O)=C1
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS06
Signal word: Danger
Hazard statements: 301 · H301-H315-H318-H335
Precautionary statements: 280 · P280-P301+P310+P330-P302+P352-P305+P351+P338+P310
target organs: Respiratory system
PPE: 2 · Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
Hazard Codes: T,Xi
Risk Statements: 25 · 25-37/38-41-36/37/38
Safety Statements: 26 · 26-36/39-45-37/39
RIDADR: 2811 · UN 2811 6.1/PG 3
WGK Germany: 3 · 3
Hazard Note: Irritant
HazardClass: 6.1 · 6.1
PackingGroup: Ⅲ
HS Code: 29225090 · 29225090
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. 1Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (87.2%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 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 CategoriesAcute Tox. 3 (87.2%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
wgk: 3
ridadr: UN 2811 6.1/PG 3
hs_code: 29225090
risk_code: 25-37/38-41-36/37/38
Signal word: Danger
Symbol(GHS): GHS05,GHS06
hazard_code: T,Xi
hazard_note: Irritant
safety_code: 26-36/39-45-37/39
hazard_class: 6.1
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
packing_group: Ⅲ
target organs: Respiratory system
Hazard statements: H301-H315-H318-H335
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Precautionary statements: P280-P301+P310+P330-P302+P352-P305+P351+P338+P310

Chemistry & industry

Applications · 1 item

Uses3-Hydroxy-4-iodobenzoic acid reacts with 1,2-dibromoethane in the presence of potassium carbonate in DMF under nitrogen to give 2-bromoethyl 3-(2-bromoethoxy)-4-iodobenzoate, which is then reduced with DIBAL-H to 3-(2-bromoethoxy)-4-iodobenzyl alcohol [6].