5-Chloro-salicylaldehyde (HCID 12481)

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 Å²
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
SMILES: C(=O)C1=CC(Cl)=CC=C1O
LogP: 2.57 · 2.570 (est)
CAS DataBase Reference: 635 · 635-93-8(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 4 GCC8ZKM3O · 4GCC8ZKM3O
NIST Chemistry Reference: 5 · 5-Chloro-2-hydroxy benzaldehyde(635-93-8)
EPA Substance Registry System: 5 · Benzaldehyde, 5-chloro-2-hydroxy- (635-93-8)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07,GHS09
Signal word: Warning
Hazard statements: 315 · H315-H319-H335-H400
Precautionary statements: 273 · P273-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-20/21/22
Safety Statements: 26 · 26-36-24/25-36/37/39
RIDADR: 2811 · UN2811/6.1/PG III
WGK Germany: 3 · 3
RTECS: 5450000 · VN5450000
Hazard Note: Irritant
TSCA: TSCA listed
HazardClass: 9 · 9
HS Code: 29130000 · 29130000
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 1 Eye · Aquatic Acute 1Eye Irrit. 2Skin Irrit. 2STOT SE 3
Limited Quantities: 5 kg · 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 5 items

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: Respiratory system
Hazard statements: H315-H319-H335-H400
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Aquatic Acute 1Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P273-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzaldehyde, 5-chloro-2-hydroxy-: ACTIVE

Applications · 1 item

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.