4-Bromo-3-hydroxy-2-naphthoic acid

HCID 26419CAS 2208-15-3

Substructure search Find similar structures

Basic information

Standard SMILES: O=C(O)c1cc2ccccc2c(Br)c1O
InChIKey: HBUFBIFPUAHIDX-UHFFFAOYSA-N
Molecular formula: C11H7BrO3
Average molar mass: 267.07 g/mol
Monoisotopic mass: 265.95785618

Names & identifiers

Preferred name: 4-Bromo-3-hydroxy-2-naphthoic acid
IUPAC: 4-bromo-3-hydroxynaphthalene-2-carboxylic acid
English name: 4-bromo-3-hydroxy-2-naphthoic acid
Molecular formula: C11H7BrO3
Molecular weight: 267.08

Names & synonyms

4-Bromo-3-hydroxy-2-naphthoic acidDTXSID80176575EINECS 218-632-2NSC 53065RefChem:519962DTXCID1099066218-632-22208-15-34-bromo-3-hydroxynaphthalene-2-carboxylic acidMFCD000941664-bromo-3-hydroxy-naphthalene-2-carboxylic acid4-bromo-3-hydroxy-2-naphthoicacid

Show more names

4-Bromo-3-hydroxy-2-naphthoic Acid >4-Bromo-3-hydroxy-2-naphthalenecarboxylic acid2-Naphthalenecarboxylic acid, 4-bromo-3-hydroxy-

NSC53065SCHEMBL569691SCHEMBL309437931-bromo-2-hydroxy-3-naphthoic acidNSC-53065STL509280AKOS009278961AC-27915

Database identifiers

CAS: 2208-15-3
PubChem CID: 26419
DTXSID: DTXSID80176575
EC Number: 218-632-2
Nikkaji: J299.161F

Properties

Computed structural properties

XLogP: 3.6
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

Melting point: 231 °C · 231 °C
solubility: soluble in Methanol
form: powder to crystal
color: White to Light yellow to Green
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
HS Code: 2918.29 · 2918.29.7500

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

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

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2918.29.7500
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313