Methyl 4-chloro-2-hydroxybenzoate

HCID 327085

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Basic information

CAS: 22717-55-1
Standard SMILES: COC(=O)c1ccc(Cl)cc1O
InChIKey: QXDWMJQRXWLSDP-UHFFFAOYSA-N
Molecular formula: C8H7ClO3
Average molar mass: 186.59 g/mol
Monoisotopic mass: 186.00837176

Names & identifiers

Preferred name: Methyl 4-chloro-2-hydroxybenzoate
IUPAC: methyl 4-chloro-2-hydroxybenzoate
English name: Methyl 4-chloro-2-hydroxybenzoate
Molecular formula: C8H7ClO3
Molecular weight: 186.59

Names & synonyms

methyl 4-chloro-2-hydroxybenzoate22717-55-1DTXSID60316179RefChem:157601DTXCID90267302607-143-3Methyl 4-chlorosalicylateMFCD03407436methyl 4-chloro-2-hydroxy-benzoateNSC300575NSC 300575SCHEMBL1058422

Show more names

Benzoic acid, 4-chloro-2-hydroxy-, Methyl esterJR-13528, Methyl 4-chloro-2-hydroxybenzoate, 97%

STK429481AKOS003306452SY101652TS-02616EN300-29834W10273Z251165964-Chloro-2-hydroxy-benzoic acid methyl ester

Database identifiers

CAS: 22717-55-1
PubChem CID: 327085
DTXSID: DTXSID60316179
EC Number: 607-143-3
Nikkaji: J48.624H

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 172

Physicochemical properties

Boiling point: 127 °C · 127 °C(Press: 15 Torr)
Density: 1.354 · 1.354±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
pka: 8.79 · 8.79±0.10(Predicted)
form: solid
color: tan
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338
Hazard Codes: Xi
HS Code: 2916399090 · 2916399090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.