4-(Hydroxymethyl)phenylacetic acid
Grundinformationen
- CAS
73401-74-8- Standard-SMILES
O=C(O)Cc1ccc(CO)cc1- InChIKey
FWZBPBKAANKOJQ-UHFFFAOYSA-N- Summenformel
- C9H10O3
- Durchschnittliche Molmasse
- 166,17 g/mol
- Monoisotopische Masse
- 166,06299418
Namen und Bezeichner
- Bevorzugter Name
- 4-(Hydroxymethyl)phenylacetic acid
- IUPAC
- 2-[4-(hydroxymethyl)phenyl]acetic acid
- Englischer Name
- 4-(HYDROXYMETHYL)PHENYLACETIC ACID
- Summenformel
- C9H10O3
- Molmasse
- 166.17
Namen und Synonyme
4-(Hydroxymethyl)phenylacetic acid73401-74-8DTXSID20391028RefChem:289106DTXCID00341889627-369-62-(4-(Hydroxymethyl)phenyl)acetic acid2-[4-(hydroxymethyl)phenyl]acetic Acid[4-(hydroxymethyl)phenyl]acetic acidMFCD000656924-(Hydroxymethyl)PhenylaceticacidBenzeneacetic acid, 4-(hydroxymethyl)-
Weitere Namen anzeigen
PAM LINKERHO-PAM-LINKERLoxoprofen Impurity 1614-(Carboxymethyl)benzyl alcoholp-(Hydroxymethyl)phenylacetic Acid1-(4-Hydroxymethyl)phenylacetic acid2-(4-(Hydroxymethyl)phenyl)aceticaci
Benzeneacetic acid,4-(hydroxymethyl)-CS-W004128PS-5338H14734-Hydroxymethylphenylacetic acidAMY14295A1IH7SCHEMBL110198
Datenbank-Bezeichner
- CAS
73401-74-8- PubChem CID
- 3283498
- DTXSID
DTXSID20391028- EC Number
- 627-369-6
- Nikkaji
- J698.420G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,6
- Polarare Oberfläche (TPSA)
- 57,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 148
Physikochemische Eigenschaften
- Schmelzpunkt
- 131 · 131-134 °C (lit.)
- Siedepunkt
- 357.8 · 357.8±22.0 °C(Predicted)
- Dichte
- 1.271 · 1.271±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- powder to crystal
- pka
- 4.27 · 4.27±0.10(Predicted)
- Farbe
- White to Almost white
- InChI
- InChI=1S/C9H10O3/c10-6-8-3-1-7(2-4-8)5-9(11)12/h1-4,10H,5-6H2,(H,11,12)
- InChIKey
- FWZBPBKAANKOJQ-UHFFFAOYSA-N
- SMILES
- C1(CC(O)=O)=CC=C(CO)C=C1
- CAS Datenbank
- 73401 · 73401-74-8(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (15.2%): 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 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (15.2%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29181990
- risk_code
- 36
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2
Chemie und Industrie
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