2-Benzylacrylic Acid

HCID 303571CAS 5669-19-2

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: C=C(Cc1ccccc1)C(=O)O
InChIKey: RYNDYESLUKWOEE-UHFFFAOYSA-N
Summenformel: C10H10O2
Durchschnittliche Molmasse: 162,18 g/mol
Monoisotopische Masse: 162,06807956

Namen und Bezeichner

Bevorzugter Name: 2-Benzylacrylic Acid
IUPAC: 2-benzylprop-2-enoic acid
Englischer Name: 2-Benzylacrylic acid
Summenformel: C10H10O2
Molmasse: 162.19

Namen und Synonyme

2-Benzylacrylic Acid5669-19-22-benzylprop-2-enoic acid2-methylene-3-phenylpropanoic AcidEWV0S2AX5BNSC-192640UNII-EWV0S2AX5BRacecadotril impurity E [EP]DTXSID60972138BENZENEPROPANOIC ACID, .ALPHA.-METHYLENE-Benzenepropanoic acid, alpha-methylene-RACECADOTRIL IMPURITY E [EP IMPURITY]

Weitere Namen anzeigen

NSC 1926402-Benzyl Acrylic2-BenzylacrylicAciBENZYL ACRYLIC ACIDA-BENZYLACRYLIC ACIDo-benzyl acrylic acid2-BENZYLACRYLIC ACIDE2-Benzylacrylic Acid 22-Benzylacrylic Acid >

RACECADOTRIL IMPURITY E (EP IMPURITY)Racecadotril Impurity ERefChem:85584DTXCID201399620438-550-2611-412-02-benzyl acrylic acid62479-28-1

Datenbank-Bezeichner

CAS: 5669-19-2
PubChem CID: 303571
DTXSID: DTXSID60972138
ChEMBL: CHEMBL3799698
UNII: EWV0S2AX5B
EC Number: 438-550-2、611-412-0
Nikkaji: J81.073H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 12
Formalladung: 0
Komplexität: 178

Physikochemische Eigenschaften

Schmelzpunkt: 66 · 66-68 °C
Siedepunkt: 170 · 170-174 °C(Press: 20 Torr)
Dichte: 1.12 · 1.120
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 4.48 · 4.48±0.11(Predicted)
Farbe: White to Off-White
Stabilität: Light Sensitive
InChI: InChI=1S/C10H10O2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-6H,1,7H2,(H,11,12)
InChIKey: RYNDYESLUKWOEE-UHFFFAOYSA-N
SMILES: C(C1C=CC=CC=1)C(=C)C(=O)O
CAS Datenbank: 5669 · 5669-19-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H301 (12.5%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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)

Aggregated GHS information provided per 8 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 28-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22238

Hazard Classes and Categories · 2 Einträge

Acute Tox. 3 (12.5%)

Eye Irrit. 2 (100%)

Sicherheitsdaten

hs_code: 29163990

Chemie und Industrie

Anwendungen · 2 Einträge

VerwendenRacecodotril intermediate

Verwenden2-Benzylacrylic acid is an organic acid compound, primarily used as an organic synthesis reagent or pharmaceutical intermediate. It can be used in the preparation of polymeric molecular brush hydrogels, the enkephalinase inhibitor Acetorphan, and nano-pesticide formulations.