ChemicalBook--->CAS DataBase List--->618-83-7

618-83-7

618-83-7 Structure

618-83-7 Structure
IdentificationMore
[Name]

5-Hydroxyisophthalic acid
[CAS]

618-83-7
[Synonyms]

5-HIPA
5-HYDROXY-1,3-BENZENEDICARBOXYLIC ACID
5-HYDROXYBENZENE-1,3-DICARBOXYLIC ACID
5-HYDROXYISOPHTHALIC ACID
5-HYDROXYISOPTHALIC ACID
HYDROXYISOPHTHALIC-5 ACID
HYDROXYISOPHTHALIC ACID, 5-
OHIPA
5-hydroxy-3-benzenedicarboxylicacid
5-hydroxy-isophthalicaci
sym-Hydroxy-iso-phthalicacid
5-Hydroxy-m-phthalic acid
5-Hydroxy-1,3-benzenedicarboxy
5-Hydroxy isophtalic acid
5-HYDROXYISOPHTHHALIC ACID
5-Hydroxy Isophthalate
3,5-Dicarboxyphenol
[EINECS(EC#)]

210-565-7
[Molecular Formula]

C8H6O5
[MDL Number]

MFCD00002515
[Molecular Weight]

182.13
[MOL File]

618-83-7.mol
Chemical PropertiesBack Directory
[Appearance]

white to slightly yellow powder
[Melting point ]

298-302 °C (lit.)
[Boiling point ]

235.5°C (rough estimate)
[density ]

1.3293 (rough estimate)
[vapor pressure ]

0Pa at 25℃
[refractive index ]

1.4330 (estimate)
[storage temp. ]

Store below +30°C.
[solubility ]

0.6g/l
[form ]

Powder
[pka]

3.41±0.10(Predicted)
[color ]

White to slightly yellow
[PH]

<7 (H2O, 20℃)
[Water Solubility ]

0.6g/L(15 ºC)
[BRN ]

2693561
[InChI]

1S/C8H6O5/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,9H,(H,10,11)(H,12,13)
[InChIKey]

QNVNLUSHGRBCLO-UHFFFAOYSA-N
[Dissociation constant]

0-0 at 23℃
[CAS DataBase Reference]

618-83-7(CAS DataBase Reference)
[EPA Substance Registry System]

618-83-7(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
[WGK Germany ]

2
[RTECS ]

CZ4280000
[TSCA ]

Yes
[HS Code ]

29182990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

5-HIPA(618-83-7).msds
Hazard InformationBack Directory
[Chemical Properties]

white to slightly yellow powder
[Uses]

5-Hydroxyisophthalic Acid is used as a reagent in the synthesis of silver carboxylate metal organic framework (MOF) complexes. 5-Hydroxyisophthalic Acid is also used as the starting material in the synthesis of N,NтАЩ-Bis(2,3-dihydroxypropyl)-5-[(N-(2-hydroxyethyl)carbamoyl)methoxy]-2,4,6-triiodoisophthalamide (B426310); a compound related to Ioversol( I737000) which is a nonionic, low osmolality, radiographic contrast agent.
[General Description]

The hydrothermal reaction of 5-hydroxyisophthalic acid, Co(II)/Cu(II) and dipyridophenazine, that forms two 3D chiral coordination polymers, was studied.
[Synthesis]

Dimethyl 5-hydroxyisophthalate

13036-02-7

5-Hydroxyisophthalic acid

618-83-7

The general procedure for the synthesis of 5-hydroxyisophthalic acid from dimethyl 5-hydroxyisophthalate was as follows: dimethyl 5-hydroxyisophthalate (40 g, 19.03 mmol) was dissolved in THF (10 mL), followed by the addition of aqueous lithium hydroxide (20 mL, 2 M). The reaction mixture was stirred at 40 °C overnight. Upon completion of the reaction, THF was removed by distillation under reduced pressure. the pH of the remaining aqueous solution was adjusted to about 2 with 6N hydrochloric acid to precipitate the product. The precipitated 5-hydroxyisophthalic acid was collected by filtration and dried in a vacuum oven to give 20 g of white solid product in 58% yield.

[References]

[1] Patent: WO2010/78449, 2010, A2. Location in patent: Page/Page column 317
Spectrum DetailBack Directory
[Spectrum Detail]

5-Hydroxyisophthalic acid(618-83-7)MS
5-Hydroxyisophthalic acid(618-83-7)1HNMR
5-Hydroxyisophthalic acid(618-83-7)13CNMR
5-Hydroxyisophthalic acid(618-83-7)IR1
5-Hydroxyisophthalic acid(618-83-7)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

5-Hydroxyisophthalic acid, 99%(618-83-7)
[Alfa Aesar]

5-Hydroxyisophthalic acid, 98%(618-83-7)
[Sigma Aldrich]

618-83-7(sigmaaldrich)
[TCI AMERICA]

5-Hydroxyisophthalic Acid,>97.0%(T)(618-83-7)
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