Grundinformationen
- Standard-SMILES
c1ccc2c(c1)CCOC2- InChIKey
HEBMCVBCEDMUOF-UHFFFAOYSA-N- Summenformel
- C9H10O
- Durchschnittliche Molmasse
- 134,17 g/mol
- Monoisotopische Masse
- 134,07316494
Namen und Bezeichner
- Bevorzugter Name
- Isochromane
- IUPAC
- 3,4-dihydro-1H-isochromene
- Lokaler Name
- Isochroman
- Englischer Name
- Isochroman
- Summenformel
- C9H10O
- Molmasse
- 134.18
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
493-05-0- PubChem CID
- 96266
- DTXSID
DTXSID50197757- ChEBI
CHEBI:33225- UNII
- 2CA7RAZ2PM
- EC Number
- 207-774-0
- Nikkaji
- J6.065H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,6
- Polarare Oberfläche (TPSA)
- 9,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 111
Experimentelle und physikochemische Eigenschaften
Kovats Retention Index
1184.8;1151
1751.1
Physikochemische Eigenschaften
- Schmelzpunkt
- 4.35 °C · 4.35°C
- Siedepunkt
- 75 °C · 75 °C (3.0004 mmHg)
- Dichte
- 1.067 g/mL · 1.067 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.545(lit.)
- Flammpunkt
- 150 °F · 150 °F
- storage temp.
- Inert atmosphere,Room Temperature
- Aggregatzustand
- Liquid
- Farbe
- Clear colorless to yellow
- Wasserlöslichkeit
- Slightly soluble in water.
- InChI
- InChI=1S/C9H10O/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4H,5-7H2
- InChIKey
- HEBMCVBCEDMUOF-UHFFFAOYSA-N
- SMILES
- C1OCC2=CC=CC=C2C1
- CAS Datenbank
- 493 · 493-05-0(CAS DataBase Reference)
- NIST chemische Informationen
- Isochroman(493-05-0)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (11 of 11) of all reports.
Not Classified;Reported as not meeting GHS hazard criteria by 11 of 11 companies. For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 11 reports by companies from 1 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 11 of 11 reports by companies.;There are 0 notifications provided by 0 of 11 reports by companies with hazard statement code(s).;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
Regulatory Information
Chemical: 1H-2-Benzopyran, 3,4-dihydro-
Status: No longer Valid Update: 09-04-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/28082
Regulatorische Informationen
Regulatory Information
Chemical: 1H-2-Benzopyran, 3,4-dihydro-
Status: No longer Valid Update: 09-04-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/28082
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29329990
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 24/25
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Anwendungen
VerwendenIsochroman is a mycotoxins that inhibits the growth of Bacillus thuringiensis and causes morphological abnormalities in the cells.
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