5-Chloro-salicylaldehyde
Basic information
- CAS
635-93-8- Standard SMILES
O=Cc1cc(Cl)ccc1O- InChIKey
FUGKCSRLAQKUHG-UHFFFAOYSA-N- Molecular formula
- C7H5ClO2
- Average molar mass
- 156.56 g/mol
- Monoisotopic mass
- 155.99780708
Overview
structure in first source
Names & identifiers
- Preferred name
- 5-Chloro-salicylaldehyde
- IUPAC
- 5-chloro-2-hydroxybenzaldehyde
- English name
- 5-Chlorosalicylaldehyde
- Molecular formula
- C7H5ClO2
- Molecular weight
- 156.57
Names & synonyms
5-chloro-salicylaldehydeRefChem:1024025-Chlorosalicylaldehyde5-Chloro-2-hydroxybenzaldehyde635-93-82-Hydroxy-5-chlorobenzaldehydeBenzaldehyde, 5-chloro-2-hydroxy-4-Chloro-2-formylphenolSALICYLALDEHYDE, 5-CHLORO-MFCD000033315-chloro-2-hydroxy-benzaldehyde4GCC8ZKM3O
Show more names
orosaLAKOS 907745-Cl-salicylal5-chloro-salicylalTIMTEC-BB SBB0040135-Chlorosalicylaldeh5-Chlorosalicyldehyde5-Chlorosalicyladehyde5-chorosalicylaldehyde
3-chloro-6-hydroxybenzaldehyde5-chloro-2-hydroxy benzaldehyde5-Chlorosalicyaldehyde5-Chloro2-HydroxybenzaldehydeBDBM111028NSC-3811STR01596STK199255
Database identifiers
- CAS
635-93-8- PubChem CID
- 12481
- DTXSID
DTXSID7022099- ChEMBL
CHEMBL3660361- UNII
- 4GCC8ZKM3O
- EC Number
- 211-244-4
- Nikkaji
- J48.296J
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 127
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 100 · 100-102 °C(lit.)
- Boiling point
- 217.69 °C · 217.69°C (rough estimate)
- Density
- 1.2683 · 1.2683 (rough estimate)
- refractive index
- 1.5812 · 1.5812 (estimate)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 7.73 · 7.73±0.18(Predicted)
- form
- Crystalline Powder
- color
- White to very slightly yellow
- Sensitive
- Air Sensitive
- BRN
- 636632 · 636632
- InChI
- InChI=1S/C7H5ClO2/c8-6-1-2-7(10)5(3-6)4-9/h1-4,10H
- InChIKey
- FUGKCSRLAQKUHG-UHFFFAOYSA-N
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
This chemical does not meet GHS hazard criteria for 2% (1 of 50) of reports.
Warning
H315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (98%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- VN5450000
- ridadr
- UN2811/6.1/PG III
- hs_code
- 29130000
- risk_code
- 36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 26-36-24/25-36/37/39
- hazard_class
- 9
- Storage Class
- 11 - Combustible Solids
- target organs
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzaldehyde, 5-chloro-2-hydroxy-: ACTIVE
Applications
Uses5-Chlorosalicyaldehyde is a useful synthetic intermediate and a key precursor to a variety chelating agents.5-Chlorosalicyaldehyde is used to synthesize imine resveratrol (R150000) derivatives as multi-targeted agents against Alzheimer's disease.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
191 records
Compound notes
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