4-Chloro-1-hydroxy-2-naphthoic acid

HCID 79416

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Basic information

CAS: 5409-15-4
Standard SMILES: O=C(O)c1cc(Cl)c2ccccc2c1O
InChIKey: XRWGZDGUXYNIOS-UHFFFAOYSA-N
Molecular formula: C11H7ClO3
Average molar mass: 222.62 g/mol
Monoisotopic mass: 222.00837176

Names & identifiers

Preferred name: 4-Chloro-1-hydroxy-2-naphthoic acid
IUPAC: 4-chloro-1-hydroxynaphthalene-2-carboxylic acid
English name: 4-CHLORO-1-HYDROXY-2-NAPHTHOIC ACID
Molecular formula: C11H7ClO3
Molecular weight: 222.62

Names & synonyms

4-Chloro-1-hydroxy-2-naphthoic acid5409-15-44-chloro-1-hydroxynaphthalene-2-carboxylic acid2-Naphthalenecarboxylic acid, 4-chloro-1-hydroxy-GE4VW55XKGNSC-8472EINECS 226-477-7XRWGZDGUXYNIOS-UHFFFAOYSA-DTXSID10202417NSC 84724-chloro-1-hydroxy-2-naphthalenecarboxylic acidRefChem:98297

Show more names

DTXCID10124908226-477-7InChI=1/C11H7ClO3/c12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,13H,(H,14,15)MFCD004586802-Naphthoic acid, 4-chloro-1-hydroxy-4-chloro-1-hydroxy-naphthalene-2-carboxylic acidNSC8472UNII-GE4VW55XKG

Database identifiers

CAS: 5409-15-4
PubChem CID: 79416
DTXSID: DTXSID10202417
ChEMBL: CHEMBL1325367
UNII: GE4VW55XKG
EC Number: 226-477-7
Nikkaji: J27.852A

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 57.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 256

Physicochemical properties

FDA UNII: 4 VW55XKG · GE4VW55XKG
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+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.