Basic information
- CAS
32852-81-6- Standard SMILES
O=C(O)Cc1cccc(Oc2ccccc2)c1- InChIKey
LEMRHTTWKDVQEI-UHFFFAOYSA-N- Molecular formula
- C14H12O3
- Average molar mass
- 228.24 g/mol
- Monoisotopic mass
- 228.07864424
Names & identifiers
- Preferred name
- 3-Phenoxyphenylacetic acid
- IUPAC
- 2-(3-phenoxyphenyl)acetic acid
- English name
- 3-Phenoxyphenylacetic acid
- Molecular formula
- C14H12O3
- Molecular weight
- 228.24
Names & synonyms
3-Phenoxyphenylacetic acidBenzeneacetic acid, 3-phenoxy-3-Phenoxybenzeneacetic acidH66Y3PYX9NUNII-H66Y3PYX9NDTXSID60186511RefChem:95299DTXCID00109002625-222-0LEMRHTTWKDVQEI-UHFFFAOYSA-N32852-81-62-(3-phenoxyphenyl)acetic acid
Show more names
AKOS BC-3046TIMTEC-BB SBB005898RARECHEM AL BO 03383-PHENOXYPHENYLACETIC2-(3-phenoxyphenyl)aceticaci3-Phenoxyphenylacetic acid 98%3-Phenoxyphenylacetic acid ,98%2-[3-(phenoxy)phenyl]ethanoic acid
(3-phenoxyphenyl)acetic acidMFCD00016826CHEMBL107066(3-Phenoxy-phenyl)-acetic acidRU 51423-PhenoxyphenylaceticacidFenoprofen Impurity Cm-phenoxyphenylacetic acid
Database identifiers
- CAS
32852-81-6- PubChem CID
- 141749
- DTXSID
DTXSID60186511- ChEMBL
CHEMBL107066- UNII
- H66Y3PYX9N
- EC Number
- 625-222-0
- Nikkaji
- J883.043F
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Melting point
- 88 · 88-91 °C (lit.)
- Boiling point
- 385.4 · 385.4±25.0 °C(Predicted)
- Density
- 1.217 · 1.217±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 4.15 · 4.15±0.10(Predicted)
- Appearance
- White to off-white Solid
- BRN
- 2730540 · 2730540
- InChI
- 1S/C14H12O3/c15-14(16)10-11-5-4-8-13(9-11)17-12-6-2-1-3-7-12/h1-9H,10H2,(H,15,16)
- InChIKey
- LEMRHTTWKDVQEI-UHFFFAOYSA-N
- SMILES
- OC(=O)Cc1cccc(Oc2ccccc2)c1
- CAS DataBase Reference
- 32852 · 32852-81-6(CAS DataBase Reference)
- FDA UNII
- 66 Y3PYX9N · H66Y3PYX9N
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29189900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers48 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
Related reactions
23 records
Compound notes
Loading…