2-Anthracenecarboxylic Acid

HCID 101325CAS 613-08-1

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Basic information

Standard SMILES: O=C(O)c1ccc2cc3ccccc3cc2c1
InChIKey: RZRJYURCNBXIST-UHFFFAOYSA-N
Molecular formula: C15H10O2
Average molar mass: 222.24 g/mol
Monoisotopic mass: 222.06807956

Overview

2-anthroic acid is an anthroic acid.

Names & identifiers

Preferred name: 2-Anthracenecarboxylic Acid
IUPAC: anthracene-2-carboxylic acid
English name: 2-ANTHRACENECARBOXYLIC ACID
Molecular formula: C15H10O2
Molecular weight: 222.24

Names & synonyms

2-Anthracenecarboxylic acid613-08-1Anthracene-2-carboxylic acid2-Anthroic acidF5MG9MB7YXNSC-406583CHEBI:38995DTXSID30210190RefChem:85427DTXCID30132681672-746-02-Anthracenecarboxylicacid

Show more names

2-anthroicaci2-Anthracenecarboxylic Acid >

MFCD001428652-Anthracenecarboxilic acidNSC 406583AI3-04216SCHEMBL1246801NSC406583TD8125AKOS015840840

Database identifiers

CAS: 613-08-1
PubChem CID: 101325
DTXSID: DTXSID30210190
ChEMBL: CHEMBL2159005
ChEBI: CHEBI:38995
UNII: F5MG9MB7YX
EC Number: 672-746-0
Nikkaji: J79.734K

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 299

Physicochemical properties

Melting point: 289 °C · 289 °C
Boiling point: 323.41 °C · 323.41°C (rough estimate)
Density: 1.1404 · 1.1404 (rough estimate)
refractive index: 1.66 · 1.6600 (estimate)
storage temp.: Sealed in dry,Room Temperature
solubility: DMSO (Slightly), Ethyl Acetate (Slightly, Sonicated), Methanol (Slightly,Sonicated)
form: Solid
pka: 1 · pK1: 4.18 (25°C)
color: Light Yellow to Yellow
Stability: Light Sensitive
CAS DataBase Reference: 613 · 613-08-1(CAS DataBase Reference)
FDA UNII: 5 MG9MB7YX · F5MG9MB7YX
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
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
HS Code: 29163990 · 29163990

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: 29163990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36/37/39
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313