Basic information
- CAS
76330-06-8- Standard SMILES
COc1c(O)c(OC)c(Cl)c(C=O)c1Cl- InChIKey
CTFRWEPMHUGVMM-UHFFFAOYSA-N- Molecular formula
- C9H8Cl2O4
- Average molar mass
- 251.06 g/mol
- Monoisotopic mass
- 249.9799641
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2,6-Dichlorosyringaldehyde
- IUPAC
- 2,6-dichloro-4-hydroxy-3,5-dimethoxybenzaldehyde
- English name
- 2,6-dichlorsyringaldehyde
- Molecular formula
- C9H8Cl2O4
- Molecular weight
- 251.06
Names & synonyms
2,6-DichlorosyringaldehydeRefChem:9088812,6-DCSA76330-06-82,6-DICHLORO-4-HYDROXY-3,5-DIMETHOXYBENZALDEHYDEBenzaldehyde, 2,6-dichloro-4-hydroxy-3,5-dimethoxy-Benzaldehyde,2,6-dichloro-4-hydroxy-3,5-dimethoxy-DTXSID2072837MFCD11616751AKOS030576741AS-68464D86838
Show more names
2,6-dichlorsyringaldehyde2,6-Dichlorosyringealdehyde2,6-Dichlorosyringealdehyde in isopropanol
2,6-dichloro-4-hydroxy-3,5-dimethoxy-benzaldehyde
Database identifiers
- CAS
76330-06-8- PubChem CID
- 53476
- DTXSID
DTXSID2072837- Nikkaji
- J695.065E
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- Henry's Law Constant
- 2.7 · 2.7×102 mol/(m3Pa) at 25℃, Lei et al. (1999)
- EPA Substance Registry System
- 2 · Benzaldehyde, 2,6-dichloro-4-hydroxy-3,5-dimethoxy- (76330-06-8)
- 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
Suppliers2 total
上海君悦生物科技有限公司021-51370612 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…