5-Methyl-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid

HCID 10702959

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 143809-21-6
Standard-SMILES: Cc1c(C(=O)O)ccc2c1OCCO2
InChIKey: YBPIZYYGBWSBKO-UHFFFAOYSA-N
Summenformel: C10H10O4
Durchschnittliche Molmasse: 194,18 g/mol
Monoisotopische Masse: 194,0579088

Namen und Bezeichner

Bevorzugter Name: 5-Methyl-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid
IUPAC: 5-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid
Englischer Name: 5-Methyl-2,3-Dihydrobenzo[B][1,4]Dioxine-6-Carboxylic Acid(WX612184)
Summenformel: C10H10O4
Molmasse: 194.18

Namen und Synonyme

143809-21-65-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxylic acidRefChem:536932966-190-05-Methyl-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxylic acidMFCD206404351,4-Benzodioxin-6-carboxylic acid, 2,3-dihydro-5-methyl-SCHEMBL2427488YBPIZYYGBWSBKO-UHFFFAOYSA-NTFA80921AKOS023770407AS-54806

Weitere Namen anzeigen

5-Methyl-2,3-Dihydrobenzo[B][1,4]Dioxine-6-Carboxylic Acid(WX612184)

SY252851DB-1487445-methyl-1,4-benzodioxan-6-carboxylic acidCS-01534035-methyl-1, 4-benzodioxan-6-carboxylic acid5-methyl-benzo(1,4)dioxan-6-carboxylic acidW10224F505307

Datenbank-Bezeichner

CAS: 143809-21-6
PubChem CID: 10702959
EC Number: 966-190-0

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 55,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 14
Formalladung: 0
Komplexität: 228

Physikochemische Eigenschaften

Siedepunkt: 342.9 · 342.9±42.0 °C(Predicted)
Dichte: 1.319 · 1.319±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 4.22 · 4.22±0.20(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning 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+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.