Basic information
- CAS
109517-99-9- Standard SMILES
O=Cc1cc(Br)cc(C=O)c1O- InChIKey
OEHFPZMUTXRLFE-UHFFFAOYSA-N- Molecular formula
- C8H5BrO3
- Average molar mass
- 229.03 g/mol
- Monoisotopic mass
- 227.94220612
Names & identifiers
- Preferred name
- 5-Bromo-2-hydroxybenzene-1,3-dicarbaldehyde
- IUPAC
- 5-bromo-2-hydroxybenzene-1,3-dicarbaldehyde
- English name
- 1,3-Benzenedicarboxaldehyde, 5-broMo-2-hydroxy-
- Molecular formula
- C8H5BrO3
- Molecular weight
- 229.03
Names & synonyms
109517-99-95-bromo-2-hydroxyisophthalaldehyde5-bromo-2-hydroxybenzene-1,3-dicarbaldehyde2,6-Diformyl-4-bromophenol1,3-Benzenedicarboxaldehyde, 5-bromo-2-hydroxy-5-bromo-2-hydroxy-1,3-BenzenedicarboxaldehydeSCHEMBL544809DTXSID904139435-bromo-2-hydroxylisophthalaldehydeMFCD01142867AKOS004121049DB-059917
Show more names
4-Bromo-2,6-diformylphenol
5-Bromo-4-hydroxy-1,3-benzenedicarboxaldehydeH51844F572070
Database identifiers
- CAS
109517-99-9- PubChem CID
- 5260206
- DTXSID
DTXSID90413943- Nikkaji
- J371.846H
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Melting point
- 113 · 113-115 °C(Solv: water (7732-18-5); ethanol (64-17-5))
- Boiling point
- 265.2 · 265.2±40.0 °C(Predicted)
- Density
- 1.798 · 1.798±0.06 g/cm3(Predicted)
- pka
- 5.82 · 5.82±0.23(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses1. Key monomer component in a new recogonition-encoded oligomer. 2. Component in Metal Organic Frameworks (MOF) chemistry. Useful intermediates in Organic Cage structures.
Upstream & downstream products
Downstream products
Suppliers34 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
兰州汇邦生物化工科技有限公司0931-5114965 15593135927 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
武汉壹加壹生物科技有限公司027-027-16602739303 16602739303 · [email protected]
Related reactions
22 records
Compound notes
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