CAS 5813-37-6 4-Bromo-1-hydroxynaphthalene-2-carboxylic acid (HCID 289393)

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Basic information

CAS: 5813-37-6
Standard SMILES: O=C(O)c1cc(Br)c2ccccc2c1O
InChIKey: ORABWYPHDRBFAX-UHFFFAOYSA-N
Molecular formula: C11H7BrO3
Average molar mass: 267.07 g/mol
Monoisotopic mass: 265.95785618

Names & identifiers

Preferred name: 4-Bromo-1-hydroxynaphthalene-2-carboxylic acid
IUPAC: 4-bromo-1-hydroxynaphthalene-2-carboxylic acid
English name: NSC 151130
Molecular formula: C11H7BrO3
Molecular weight: 267.08

Names & synonyms

4-bromo-1-hydroxynaphthalene-2-carboxylic acidRefChem:518971831-437-24-bromo-1-hydroxy-2-naphthoic acid5813-37-6MFCD00021504NSC 1511304-bromo-1-hydroxy-naphthalene-2-carboxylic acid4-bromanyl-1-oxidanyl-naphthalene-2-carboxylic acidF0349-31431-hydroxy-4-bromo-2-naphthoic acidNSC151130

Show more names

4-Bromo-1-hydroxy-2-naphthalenecarboxylic acid4-Bromo-1-hydroxy-naphthalen-2-carboxylic acid2-Naphthalenecarboxylic acid, 4-bromo-1-hydroxy-

2-Naphthalenecarboxylicacid, 4-bromo-1-hydroxy-SCHEMBL485235IFLab1_001264DTXSID00302470ORABWYPHDRBFAX-UHFFFAOYSA-NHMS1415J10SMSSF-0047761FAA81337

Database identifiers

CAS: 5813-37-6
PubChem CID: 289393
DTXSID: DTXSID00302470
EC Number: 831-437-2

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: 245 · 245-246℃
Density: 1.772 · 1.772
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 318 · H318-H315-H335
Precautionary statements: 280 · P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS05
Hazard statements: H318-H315-H335
Precautionary statements: P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362