4-Hydroxy-3-iodobenzoic acid (2IPCOOH)

HCID 449473
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Basic information

CAS
37470-46-5
Standard SMILES
O=C(O)c1ccc(O)c(I)c1
InChIKey
BJZXBZGGLXHODK-UHFFFAOYSA-N
Molecular formula
C7H5IO3
Average molar mass
264.02 g/mol
Monoisotopic mass
263.92834202

Names & identifiers

Preferred name
4-Hydroxy-3-iodobenzoic acid (2IPCOOH)
IUPAC
4-hydroxy-3-iodobenzoic acid
English name
4-HYDROXY-3-IODOBENZOIC ACID
Molecular formula
C7H5IO3
Molecular weight
264.02

Names & synonyms

4-Hydroxy-3-iodobenzoic acid (2IPCOOH)RefChem:10707654-hydroxy-3-iodobenzoic acid37470-46-53-IODO-4-HYDROXYBENZOIC ACIDBenzoic acid, 4-hydroxy-3-iodo-MFCD002342634-hydroxy-3-iodo-benzoic acid4-Hydroxy-3-iodobenzoicacid3-Iodo4-hydroxybenzoic acidSCHEMBL5666083-iodo-4-hydroxy benzoic acid
Show more names
BUTTPARK 22\07-1004-Carboxy-2-iodophenol2-Iodo-4-carboxyphenol
3-Iodo-4-hydroxy-benzoic acidSCHEMBL30329647DTXSID50332308BJZXBZGGLXHODK-UHFFFAOYSA-NBDBM217399CK2246SBB0682604-Hydroxy-3-iodobenzoic acid, 97%

Database identifiers

CAS
37470-46-5
PubChem CID
449473
DTXSID
DTXSID50332308
Nikkaji
J338.591D

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
57.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
11

Physicochemical properties

Melting point
172 · 172-175℃
Boiling point
330 · 330.0±32.0 °C(Predicted)
Density
2.155 · 2.155
storage temp.
2 · 2-8°C(protect from light)
form
solid
pka
4.22 · 4.22±0.10(Predicted)

Safety & regulation

Safety data

hs_code
2916399090
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
hazard_note
Irritant
Hazard statements
H302-H315-H319-H335

Chemistry & industry

Applications

Uses4-Hydroxy-3-iodobenzoic acidis used for enantioselective cross-electrophile Aryl-Alkenylation of unactivated alkenes.

Uses4-Hydroxy-3-iodobenzoic acidis used for enantioselective cross-electrophile Aryl-Alkenylation of unactivated alkenes.

Upstream & downstream products

Upstream raw materials

Suppliers75 total

上海康恩博医药科技有限公司17510465506 · [email protected]
北京诺德恒信化工技术有限公司010-84929330 13811281791 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Related reactions

33 records
New reaction record

Compound notes

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