Basic information
- CAS
601-97-8- Standard SMILES
O=C(O)c1cccc(O)c1C(=O)O- InChIKey
MNUOZFHYBCRUOD-UHFFFAOYSA-N- Molecular formula
- C8H6O5
- Average molar mass
- 182.13 g/mol
- Monoisotopic mass
- 182.02152329
Overview
3-Hydroxyphthalic acid is a hydroxybenzoic acid. It is functionally related to a salicylic acid.
Names & identifiers
- Preferred name
- 3-Hydroxyphthalic acid
- IUPAC
- 3-hydroxyphthalic acid
- English name
- 3-hydroxyphthalic acid
- Molecular formula
- C8H6O5
- Molecular weight
- 182.13
Names & synonyms
3-Hydroxyphthalic acid601-97-83-hydroxybenzene-1,2-dicarboxylic acidPhthalic acid, 3-hydroxy-U8LUD5V3521,2-Benzenedicarboxylic acid, 3-hydroxy-NSC-2436EINECS 210-011-43-hydroxy-1,2-benzenedicarboxylic acidDTXSID60208848NSC 24363-hydroxyphthalate
Show more names
3-Hydroxyphthalicaci3-hydroxyorthobenzenedimacetic acid1,2-Benzenedicarboxylicacid, 3-hydroxy-
RefChem:94381DTXCID101313393-Hydroxybenzene-1,2-dicarboxylate210-011-43-Hydroxy-1,2-benzenedicarboxylicacidCHEMBL2420930MFCD17000078F2147-1049
Database identifiers
- CAS
601-97-8- PubChem CID
- 69039
- DTXSID
DTXSID60208848- ChEMBL
CHEMBL2420930- ChEBI
CHEBI:204117- UNII
- U8LUD5V352
- EC Number
- 210-011-4
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Melting point
- 161 · 161-163 °C
- Boiling point
- 422.5 · 422.5±40.0 °C(Predicted)
- Density
- 1.612 · 1.612±0.06 g/cm3(Predicted)
- storage temp.
- RT, stored under nitrogen
- pka
- 2.67 · 2.67±0.25(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C8H6O5/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3,9H,(H,10,11)(H,12,13)
- InChIKey
- MNUOZFHYBCRUOD-UHFFFAOYSA-N
- SMILES
- C1(C(O)=O)=CC=CC(O)=C1C(O)=O
- FDA UNII
- 8 LUD5V352 · U8LUD5V352
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses3-Hydroxyphthalic Acid can be used to treat cancer.
Upstream & downstream products
Downstream products
Suppliers23 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
上海合寰化工科技有限公司18621911604 · [email protected]
杭州迈世腾药物科技有限公司0571-82896630 18969958410 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
山东轩鸿生物医药有限公司+86-0531-88801869 15090917080 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
北京伊万景瑞生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…