2,3-Dihydroxyterephthalic acid

HCID 88273
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Basic information

CAS
19829-72-2
Standard SMILES
O=C(O)c1ccc(C(=O)O)c(O)c1O
InChIKey
OHLSHRJUBRUKAN-UHFFFAOYSA-N
Molecular formula
C8H6O6
Average molar mass
198.13 g/mol
Monoisotopic mass
198.01643791

Names & identifiers

Preferred name
2,3-Dihydroxyterephthalic acid
IUPAC
2,3-dihydroxyterephthalic acid
English name
2,3-dihydroxyterephthalic acid
Molecular formula
C8H6O6
Molecular weight
198.13

Names & synonyms

2,3-Dihydroxyterephthalic acidEINECS 243-354-3DTXSID50173556NSC 38869RefChem:442425DTXCID2096047243-354-319829-72-21,4-Benzenedicarboxylic acid, 2,3-dihydroxy-2,3-DIHYDROXY-TEREPHTHALIC ACIDMFCD021811052,3-DIHYDROXYBENZENE-1,4-DICARBOXYLIC ACID
Show more names
DK74382,3-Dihydroxyterephthalsure2,3-Dihydroxy-p-benzenediacetic acid2,3-dihydroxyparabenzenedimacetic acid2,3-Dihydroxy-1,4-benzenedicarboxylic acid
F9S7RAD6FMSCHEMBL1762552,3-Dihydroxyterephthalic acid #NSC-38869DS-7405SY248314CS-0110703EN300-2842026

Database identifiers

CAS
19829-72-2
PubChem CID
88273
DTXSID
DTXSID50173556
ChEMBL
CHEMBL4160929
UNII
F9S7RAD6FM
EC Number
243-354-3
Nikkaji
J82.901C

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
115 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
14

Physicochemical properties

Melting point
309 · 309-310℃ (ethanol ethyl ether )
Boiling point
456.5 · 456.5±45.0 °C(Predicted)
Density
1.779 · 1.779±0.06 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
pka
2.23 · 2.23±0.13(Predicted)
Appearance
Light brown to gray Solid

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory 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 2 reports by companies from 2 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 information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H335-H319
Precautionary statements
P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Applications

Uses2,3-Dihydroxyterephthalic acid is used as a ligand in the synthesis of MOF materials: polyester monomer UiO-​66-​Cat(M)M=Fe,Ti..

Upstream & downstream products

Suppliers69 total

郑州阿尔法化工有限公司+86-18530059196 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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