CAS 1829-32-9 3-Chlorosalicylic acid (HCID 74585)

Names & identifiers

Preferred name: 3-Chlorosalicylic acid
IUPAC: 3-chloro-2-hydroxybenzoic acid
English name: 3-Chlorosalicylic acid
Molecular formula: C7H5ClO3
Molecular weight: 172.57

Names & synonyms

3-Chlorosalicylic acid3-Chloro-2-hydroxybenzoic acid1829-32-9Benzoic acid, 3-chloro-2-hydroxy-Salicylic acid, 3-chloro-CQE9J25ZESNSC 18854DTXSID10171356EINECS 217-379-5NSC-18854RefChem:93544DTXCID0093847

Show more names

3-chloro-2-hydroxybenzoate3-Chlorosalicylic acid 98%3-Chlorosalicylic acid,98%3-chloro-2-hydroxybenzoiacid2-Hydroxy-3-chlorobenzoic acid

Salicylic acid, 3-chloro-(8CI)Benzoic acid, 3-chloro-2-hydroxy-(9CI)217-379-5InChI=1/C7H5ClO3/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,9H,(H,10,11PPINMMULCRBDOS-UHFFFAOYSA-NMFCD00010390Benzoic acid, chloro-2-hydroxy-3-chloro-2-hydroxy-benzoic acid

Database identifiers

CAS: 1829-32-9
PubChem CID: 74585
DTXSID: DTXSID10171356
UNII: CQE9J25ZES
EC Number: 217-379-5
Nikkaji: J199.646K

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 57.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 160

Physicochemical properties

Melting point: 184 · 184-186 °C(lit.)
Boiling point: 291.7 · 291.7±25.0 °C(Predicted)
Density: 0.863 g/cm3 · 0.863 g/cm3
storage temp.: Sealed in dry,Room Temperature
solubility: DMSO (Sparingly), Methanol (Slightly)
pka: 2.43 · 2.43±0.10(Predicted)
form: Crystalline Powder
color: White
InChI: InChI=1S/C7H5ClO3/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,9H,(H,10,11)
InChIKey: PPINMMULCRBDOS-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC=CC(Cl)=C1O
CAS DataBase Reference: 1829 · 1829-32-9(CAS DataBase Reference)
FDA UNII: 9 J25ZES · CQE9J25ZES
NIST Chemistry Reference: 3 · 3-Chlorosalicylic acid(1829-32-9)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
HS Code: 2918290090 · 2918290090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information3-Chlorosalicylic acid: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)