2-Hydroxyterephthalic acid

HCID 97257CAS 636-94-2
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)c1ccc(C(=O)O)c(O)c1
InChIKey
CDOWNLMZVKJRSC-UHFFFAOYSA-N
Molecular formula
C8H6O5
Average molar mass
182.13 g/mol
Monoisotopic mass
182.02152329

Names & identifiers

Preferred name
2-Hydroxyterephthalic acid
IUPAC
2-hydroxyterephthalic acid
English name
2-hydroxyterephthalic acid
Molecular formula
C8H6O5
Molecular weight
182.13

Names & synonyms

2-Hydroxyterephthalic acid636-94-22-Hydroxy-1,4-benzenedicarboxylic acid2-hydroxyterephthalateDTXSID40212983RefChem:87618DTXCID701354742-hydroxybenzene-1,4-dicarboxylic acidHydroxyterephthalic acidMFCD098353681,4-Benzenedicarboxylic acid, 2-hydroxy-2-hydroxyterephthalicacid
Show more names
DK72702-HydroxyterephthaLTerephthalic acid, hydroxy-2-HydroxyterephthalicAcid>2-Hydroxyterephthalic acid 97%
H2BDC-OHNSC-1090982-HYDROXYBENZENE-1,4-DIOIC ACID2-hydroxy terephthalic acid2-Hydroxyterephthalic acid #SCHEMBL193180SCHEMBL6630337SCHEMBL6631013

Database identifiers

CAS
636-94-2
PubChem CID
97257
DTXSID
DTXSID40212983
EC Number
692-426-4
Nikkaji
J94.856J

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
94.8 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
13

Physicochemical properties

Melting point
312 · 312-317 °C
Boiling point
436.9 · 436.9±40.0 °C(Predicted)
Density
1.612 · 1.612±0.06 g/cm3(Predicted)
storage temp.
Inert atmosphere,Room Temperature
form
powder to crystal
pka
2.56 · 2.56±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 43 reports by companies from 6 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 CategoriesAcute Tox. 4 (97.7%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.7%)

Safety data

wgk
3
hs_code
29182900
risk_code
22-36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xn

Chemistry & industry

Applications

Uses2-Hydroxyterephthalic acid is a useful reagent and reactant in the field of nanotechnology, and material science. Della Pia, A., et al.: Faraday Discuss., 204, 191-213 (2017);

General DescriptionThis product has been enhanced for energy efficiency.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
杭州奥得科技有限公司0571-88772972-0 15057128248 · [email protected]

Related reactions

6 records
New reaction record

Linked notes

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