Basic information
- CAS
76341-69-0- Standard SMILES
COc1cc(C=O)c(Cl)c(OC)c1O- InChIKey
GRIHRCLOUQZXPD-UHFFFAOYSA-N- Molecular formula
- C9H9ClO4
- Average molar mass
- 216.62 g/mol
- Monoisotopic mass
- 216.0189365
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2-Chlorosyringaldehyde
- IUPAC
- 2-chloro-4-hydroxy-3,5-dimethoxybenzaldehyde
- English name
- 2-chlorosyringaldehyde
- Molecular formula
- C9H9ClO4
- Molecular weight
- 216.62
Names & synonyms
2-Chlorosyringaldehyde76341-69-0DTXSID7072838RefChem:86542DTXCID00478722-CHLORO-4-HYDROXY-3,5-DIMETHOXYBENZALDEHYDEBenzaldehyde,2-chloro-4-hydroxy-3,5-dimethoxy-Benzaldehyde, 2-chloro-4-hydroxy-3,5-dimethoxy-DB-2401462-Chloro-4-hydroxy-3,5-dimethoxybenzaldehyde #EN300-8685969Z1269180272
Show more names
2-chlorsyringaldehyde2-Chlorosyringealdehyde2-Chlorosyringealdehyde in isopropanol
Database identifiers
- CAS
76341-69-0- PubChem CID
- 53479
- DTXSID
DTXSID7072838- Nikkaji
- J633.698A
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 199
Physicochemical properties
- Boiling point
- 342.4 · 342.4±37.0 °C(Predicted)
- Density
- 1.358 · 1.358±0.06 g/cm3(Predicted)
- pka
- 6.85 · 6.85±0.28(Predicted)
- Henry's Law Constant
- 9.1 · 9.1×101 mol/(m3Pa) at 25℃, Lei et al. (1999)
- EPA Substance Registry System
- 2 · 2-Chlorosyringaldehyde (76341-69-0)
Chemistry & industry
Suppliers4 total
坛墨质检科技股份有限公司4008-099-669 · [email protected]
广州伟伯科技有限公司[email protected]
DR-EHREN[email protected]
上海甄准生物科技有限公司15800340161 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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