3-(2-Carboxyphenyl)propionic acid
Grundinformationen
- CAS
776-79-4- Standard-SMILES
O=C(O)CCc1ccccc1C(=O)O- InChIKey
VEEXBQLWMFMATJ-UHFFFAOYSA-N- Summenformel
- C10H10O4
- Durchschnittliche Molmasse
- 194,18 g/mol
- Monoisotopische Masse
- 194,0579088
Namen und Bezeichner
- Bevorzugter Name
- 3-(2-Carboxyphenyl)propionic acid
- IUPAC
- 2-(2-carboxyethyl)benzoic acid
- Englischer Name
- 3-(2-Carboxyphenyl)propionic acid
- Summenformel
- C10H10O4
- Molmasse
- 194.18
Namen und Synonyme
3-(2-Carboxyphenyl)propionic acidRefChem:490761624-678-82-(2-carboxyethyl)benzoic acid776-79-4MFCD000165502-Carboxybenzenepropanoic acidBENZENEPROPANOIC ACID, 2-CARBOXY-NSC166373-(2-CARBOXYPHENYL)PROPANOIC ACIDSCHEMBL290622-(2-carboxyethyl)benzoicacid
Weitere Namen anzeigen
Tetralic acid4-carboxybenzenepropanoic acidNSC 16637o-Carboxyhydrocinnamic acid2-Carboxyhydrocinnamic acid2-CARBOXYPHENYLPROPANOIC ACID2-Carboxybenzenepropanic AcidO-CARBOXYPHENYLPROPIONIC ACID
SCHEMBL275682532-(2-carboxyethyl) benzoic acid2-(2-carboxyethyl)-benzoic acidDTXSID10280376NSC-16637AKOS005216393CS-W010663FC66122
Datenbank-Bezeichner
- CAS
776-79-4- PubChem CID
- 226294
- DTXSID
DTXSID10280376- EC Number
- 624-678-8
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,9
- Polarare Oberfläche (TPSA)
- 74,6 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 224
Physikochemische Eigenschaften
- Schmelzpunkt
- 166 · 166-168 °C (lit.)
- Siedepunkt
- 394.4 · 394.4±17.0 °C(Predicted)
- Dichte
- 1.33 · 1.330±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- solid
- pka
- 3.99 · 3.99±0.36(Predicted)
- InChI
- 1S/C10H10O4/c11-9(12)6-5-7-3-1-2-4-8(7)10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)
- InChIKey
- VEEXBQLWMFMATJ-UHFFFAOYSA-N
- SMILES
- OC(=O)CCc1ccccc1C(O)=O
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger 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, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2917399590
- risk_code
- 37/38-41
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Dam. 1Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Beschreibung3-(2-Carboxyphenyl) propionic acid is a chemical compound that belongs to the group of phytoalexins. It is a synthetic compound that is used as a raw material for the synthesis of various pharmaceuticals and additional organic compounds. 3-(2-Carboxyphenyl) propionic acid has shown luminescence properties, which may be due to its oxidation products. The isoquinoline alkaloids present in this compound are responsible for its anti-inflammatory effects. 3-(2-Carboxyphenyl) propionic acid can also be found in conjugates with chloride or other organic acids, such as diazide, which inhibit bacterial growth and increase the solubility of this substance.
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
Anbieter58 Anbieter
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
Compound Net Biotechnology Inc.15266686121 · [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）
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