Basic information
- CAS
6328-74-1- Standard SMILES
O=C(O)Cc1ccc(Oc2ccccc2)cc1- InChIKey
VARVNFDGRLLTCI-UHFFFAOYSA-N- Molecular formula
- C14H12O3
- Average molar mass
- 228.24 g/mol
- Monoisotopic mass
- 228.07864424
Names & identifiers
- Preferred name
- 4-Phenoxyphenylacetic acid
- IUPAC
- 2-(4-phenoxyphenyl)acetic acid
- English name
- 4-PHENOXYPHENYLACETIC ACID
- Molecular formula
- C14H12O3
- Molecular weight
- 228.24
Names & synonyms
4-Phenoxyphenylacetic acidRefChem:526291626-215-56328-74-12-(4-Phenoxyphenyl)acetic acid(4-phenoxyphenyl)acetic acid(4-phenoxy-phenyl)-acetic acidMFCD000797794-PhenoxyphenylaceticAcid4-(phenoxy)phenylacetic acidp-Phenyloxyphenylacetic Acid4-phenoxy-phenylacetic acid
Show more names
NSC 43857RARECHEM AL BO 15214-PHENOXYPHENYLACETICp-Phenoxyphenylacetic Acid4-Phenoxybenzeneacetic Acid4-Phenoxyphenylethanoic acid4-Phenoxyphenylacetic acid 97%
(4'-phenoxyphenyl)acetic acid(4phenoxy-phenyl)-acetic acidAKOS002392972Benzeneacetic acid, 4-phenoxy-NSC43857SCHEMBL1145770DTXSID809793614-Phenoxyphenylacetic acid, 97%
Database identifiers
- CAS
6328-74-1- PubChem CID
- 239077
- DTXSID
DTXSID80979361- EC Number
- 626-215-5
Properties
Computed structural properties
- XLogP
- 3
- 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
- 238
Physicochemical properties
- Melting point
- 72 · 72-79 °C
- Boiling point
- 382 ℃ · 382℃
- Density
- 1.217 · 1.217
- refractive index
- 1.58 · 1.5800 (estimate)
- Flash point
- 146 ℃ · 146℃
- storage temp.
- Sealed in dry,Room Temperature
- form
- solid
- pka
- 4.34 · 4.34±0.10(Predicted)
- Appearance
- White to off-white Solid
- InChI
- 1S/C14H12O3/c15-14(16)10-11-6-8-13(9-7-11)17-12-4-2-1-3-5-12/h1-9H,10H2,(H,15,16)
- InChIKey
- VARVNFDGRLLTCI-UHFFFAOYSA-N
- SMILES
- OC(=O)Cc1ccc(Oc2ccccc2)cc1
- CAS DataBase Reference
- 6328 · 6328-74-1(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07,GHS09
- Signal word
- Danger
- Hazard statements
- 302 · H302-H317-H318-H410
- Precautionary statements
- 273 · P273-P280-P301+P312+P330-P302+P352-P305+P351+P338+P310
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- Hazard Codes
- Xn,N,Xi
- Risk Statements
- 22 · 22-50
- Safety Statements
- 60 · 60-61
- RIDADR
- 3077 · UN 3077 9/PG 3
- WGK Germany
- 2 · 2
- HazardClass
- IRRITANT
- HS Code
- 29189900 · 29189900
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralAquatic · Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Sens. 1
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 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 CategoriesAcute Tox. 4 (88.6%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 2
- ridadr
- UN 3077 9/PG 3
- hs_code
- 29189900
- risk_code
- 22-50
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07,GHS09
- hazard_code
- Xn,N,Xi
- safety_code
- 60-61
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H317-H318-H410
- Hazard Classifications
- Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Sens. 1
- Precautionary statements
- P273-P280-P301+P312+P330-P302+P352-P305+P351+P338+P310
Chemistry & industry
Applications
Usesp-Phenyloxyphenylacetic Acid is an arylaliphatic acid used in the preperation of protential inhibitors of collagen-induced aggregation of human thrombocytes. p-Phenyloxyphenylacetic Acid is a predicted metabolite of 6-Amino-4-(4-phenoxyphenylethylamino)quinazoline (A621350).
Uses4-PHENOXYPHENYLACETIC ACID is an arylaliphatic acid used in the preperation of protential inhibitors of collagen-induced aggregation of human thrombocytes. p-Phenyloxyphenylacetic Acid is a predicted metabolite of 6-Amino-4-(4-phenoxyphenylethylamino)quinazoline.
Upstream & downstream products
Upstream raw materials
Suppliers83 total
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Related reactions
29 records
Compound notes
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