CAS 6322-83-4 2-(4-Benzoylphenoxy)acetic acid (HCID 80609)

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Basic information

CAS: 6322-83-4
Standard SMILES: O=C(O)COc1ccc(C(=O)c2ccccc2)cc1
InChIKey: FQPOVZIKEBLFNG-UHFFFAOYSA-N
Molecular formula: C15H12O4
Average molar mass: 256.25 g/mol
Monoisotopic mass: 256.07355886

Names & identifiers

Preferred name: 2-(4-Benzoylphenoxy)acetic acid
IUPAC: 2-(4-benzoylphenoxy)acetic acid
English name: (4-Benzoyl-phenoxy)-acetic acid
Molecular formula: C15H12O4
Molecular weight: 256.25

Names & synonyms

2-(4-benzoylphenoxy)acetic acidRefChem:456736872-312-26322-83-4(4-benzoyl-phenoxy)-acetic acidAcetic acid, (4-benzoylphenoxy)-MFCD02725448(4-Benzoylphenoxy)acetic acidMLS000774837Acetic acid, 2-(4-benzoylphenoxy)-SMR000365500(p-Benzoylphenoxy)acetic acid

Show more names

105380

Enamine_001959AI3-15563WLN: QV1OR DVROprea1_785777SCHEMBL38789cid_80609(4-benzoylphenoxy)-acetic acid2-(4-benzoylphenoxy)aceticacid

Database identifiers

CAS: 6322-83-4
PubChem CID: 80609
DTXSID: DTXSID80212588
ChEMBL: CHEMBL1893590
EC Number: 872-312-2
Nikkaji: J54.176A

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 63.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 19
Formal charge: 0
Complexity: 312

Physicochemical properties

storage temp.: Sealed in dry,Room Temperature
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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.