Basic information
- CAS
65678-12-8- Standard SMILES
CC(C)(C)c1cc(C=O)cc(Cl)c1O- InChIKey
VRDIKTAXORPVGA-UHFFFAOYSA-N- Molecular formula
- C11H13ClO2
- Average molar mass
- 212.67 g/mol
- Monoisotopic mass
- 212.06040734
Names & identifiers
- Preferred name
- 5-(tert-Butyl)-3-chloro-4-hydroxybenzaldehyde
- IUPAC
- 3-tert-butyl-5-chloro-4-hydroxybenzaldehyde
- English name
- 5-(tert-butyl)-3-chloro-4-hydroxybenzaldehyde
- Molecular formula
- C11H13ClO2
- Molecular weight
- 212.67
Names & synonyms
65678-12-85-(tert-Butyl)-3-chloro-4-hydroxybenzaldehyde3-tert-butyl-5-chloro-4-hydroxybenzaldehydeEINECS 265-872-93-Chloro-5-(1,1-dimethylethyl)-4-hydroxybenzaldehydeSCHEMBL5362416DTXSID30984228NS000554513-(tert-butyl)-5-chloro-4-hydroxybenzaldehydeBenzaldehyde, 3-chloro-5-(1,1-dimethylethyl)-4-hydroxy-
Database identifiers
- CAS
65678-12-8- PubChem CID
- 3017619
- DTXSID
DTXSID30984228- EC Number
- 265-872-9
- Nikkaji
- J307.455B
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 210
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
3 records
Compound notes
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