4,4'-Oxydiphthalic acid

HCID 82136
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
7717-76-2
Standard SMILES
O=C(O)c1ccc(Oc2ccc(C(=O)O)c(C(=O)O)c2)cc1C(=O)O
InChIKey
AIVVXPSKEVWKMY-UHFFFAOYSA-N
Molecular formula
C16H10O9
Average molar mass
346.24 g/mol
Monoisotopic mass
346.03248189

Names & identifiers

Preferred name
4,4'-Oxydiphthalic acid
IUPAC
4-(3,4-dicarboxyphenoxy)phthalic acid
English name
4-(3,4-dicarboxyphenoxy)benzene-1,2-dicarboxylic acid
Molecular formula
C16H10O9
Molecular weight
346.25

Names & synonyms

4,4'-oxydiphthalic acid1,2-Benzenedicarboxylic acid, 4,4'-oxybis-4-(3,4-dicarboxyphenoxy)phthalic acidDTXSID8064775RefChem:506876DTXCID5047950972-300-87717-76-24-(3,4-DICARBOXYPHENOXY)BENZENE-1,2-DICARBOXYLIC ACID1,2-Benzenedicarboxylicacid, 4,4'-oxybis-MFCD003781184,4'-Oxybisphthalic acid
Show more names
（4,4 ‘- Oxobiphthalic acid）3,3',4,4'-Tetracarboxydiphenyl oxide4,4'-oxydibenzene-1,2-dicarboxylic acid
Oprea1_181540Oprea1_868492SCHEMBL493654,4a(2)-Oxydiphthalic acidbis(3,4-dicarboxyphenyl) etherSCHEMBL29364655SCHEMBL294264034,4'-oxydiphthalic acid(ODTA)

Database identifiers

CAS
7717-76-2
PubChem CID
82136
DTXSID
DTXSID8064775
EC Number
972-300-8
Nikkaji
J675.312D

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
158 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
9
Rotatable bonds
6
Heavy atoms
25

Physicochemical properties

Melting point
229 · 229-231.5 °C (decomp)
Boiling point
645.2 · 645.2±55.0 °C(Predicted)
Density
1.647 · 1.647±0.06 g/cm3(Predicted)
storage temp.
Store at room temperature
pka
2.71 · 2.71±0.10(Predicted)
Appearance
White to off-white 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]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)

Regulatory information

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Safety data

tsca
TSCA listed
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P280-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1,2-Benzenedicarboxylic acid, 4,4'-oxybis-: ACTIVE

Applications

Uses4-(3,4-Dicarboxyphenoxy)benzene-1,2-dicarboxylic acid is used as a ligand in the synthesis of MOF materials.

Upstream & downstream products

Downstream products

Suppliers46 total

上海康恩博医药科技有限公司17510465506 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
上海卡伦姆生化科技有限公司15837198050 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

Loading…