Basic information
- CAS
27164-10-9- Standard SMILES
O=Cc1cc(Cl)c(O)cc1Cl- InChIKey
BUJHRHRKNMSZAW-UHFFFAOYSA-N- Molecular formula
- C7H4Cl2O2
- Average molar mass
- 191.01 g/mol
- Monoisotopic mass
- 189.95883473
Names & identifiers
- Preferred name
- 2,5-Dichloro-4-hydroxybenzaldehyde
- IUPAC
- 2,5-dichloro-4-hydroxybenzaldehyde
- English name
- 2,5-DICHLORO-4-HYDROXY-BENZALDEHYDE
- Molecular formula
- C7H4Cl2O2
- Molecular weight
- 191.01
Names & synonyms
2,5-dichloro-4-hydroxybenzaldehyde27164-10-9RefChem:247349MFCD06656940Benzaldehyde, 2,5-dichloro-4-hydroxySCHEMBL3377931TQP0770DTXSID501295966AKOS017515403AS-48045DB-1488872,5-DICHLORO-4-HYDROXY-BENZALDEHYDE
Show more names
Benzaldehyde, 2,5-dichloro-4-hydroxy-
CS-0308414EN300-119344F175902,5-Dichloro-4-hydroxybenzaldehyde, AldrichCPRZ1255427969
Database identifiers
- CAS
27164-10-9- PubChem CID
- 528381
- DTXSID
DTXSID501295966- EC Number
- 994-137-1
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- 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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses2,5-Dichloro-4-hydroxybenzaldehyde can be used in the design and preparation of gut-restricted thiazolidine agonists of G protein-coupled bile acid receptor 1 (GPBAR1, TGR5). It can be useful in the synthesis of new mescaline analogs as potential psychotropic agents as well as in the discovery of novel p-arylthio cinnamides as antagonists of leukocyte function-associated antigen-1 (LFA-1) /intercellular adhesion molecule-1 (ICAM-1).
Suppliers6 total
安徽合诺生物科技有限公司0555-2761852
苏州亚衍医药科技有限公司17715136450 · [email protected]
北京依特能化学科技有限责任公司010-59484199 18611897322;18611897322 · [email protected]
上海超岚化工科技中心（原上海巢莱）0-2022843681 15618226720 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
3 records
Compound notes
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