Basic information
- CAS
3328-69-6- Standard SMILES
O=Cc1cccc(C=O)c1O- InChIKey
JJOPQMAMJLOGFB-UHFFFAOYSA-N- Molecular formula
- C8H6O3
- Average molar mass
- 150.13 g/mol
- Monoisotopic mass
- 150.03169405
Names & identifiers
- Preferred name
- 2-Hydroxyisophthalaldehyde
- IUPAC
- 2-hydroxybenzene-1,3-dicarbaldehyde
- English name
- 2,6-DIFORMYLPHENOL
- Molecular formula
- C8H6O3
- Molecular weight
- 150.13
Names & synonyms
2-HydroxyisophthalaldehydeDTXSID10323171RefChem:473462DTXCID10274290680-041-43328-69-62,6-Diformylphenol2-hydroxybenzene-1,3-dicarbaldehydeMFCD00839420NSC403253SCHEMBL4199502-Hydroxy-1,3-benzenedicarboxaldehyde
Show more names
2-hydroxy m-benzaldehyde2-Hydroxyisophthalaldehyde>2-hydroxybenzene-1,3-dicarboxaldehyde1,3-Benzenedicarboxaldehyde, 2-hydroxy-
AKOS004910567CS-W016326NSC-403253AS-58712H1018C747112-Hydroxy-beAM20040191
Database identifiers
- CAS
3328-69-6- PubChem CID
- 345554
- DTXSID
DTXSID10323171- EC Number
- 680-041-4
- Nikkaji
- J834.518J
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 139
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 124 °C · 124 °C
- Boiling point
- 219 · 219.0±25.0 °C(Predicted)
- Density
- 1.35 · 1.350±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 6.38 · 6.38±0.10(Predicted)
- color
- White to Light yellow to Light orange
- InChI
- InChI=1S/C8H6O3/c9-4-6-2-1-3-7(5-10)8(6)11/h1-5,11H
- InChIKey
- JJOPQMAMJLOGFB-UHFFFAOYSA-N
- SMILES
- C1(C=O)=CC=CC(C=O)=C1O
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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]
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
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2912490090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers82 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西格列弗生物科技研究有限责任公司18409274651; 13892423764 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
1 records
Compound notes
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