Grundinformationen
- Standard-SMILES
BrCC1COc2ccccc2O1- InChIKey
QYLFKNVZIFTCIY-UHFFFAOYSA-N- Summenformel
- C9H9BrO2
- Durchschnittliche Molmasse
- 229,07 g/mol
- Monoisotopische Masse
- 227,97859163
Namen und Bezeichner
- Bevorzugter Name
- 2-Bromomethyl-1,4-benzodioxane
- IUPAC
- 3-(bromomethyl)-2,3-dihydro-1,4-benzodioxine
- Lokaler Name
- 2-(Brommethyl)-2,3-dihydro-1,4-benzodioxin
- Englischer Name
- 2-Bromomethyl-1,4-benzodioxane
- Summenformel
- C9H9BrO2
- Molmasse
- 229.07
Namen und Synonyme
2164-34-32-Bromomethyl-1,4-benzodioxane2-(bromomethyl)-2,3-dihydro-1,4-benzodioxine2-(Bromomethyl)-1,4-benzodioxane2-(Bromomethyl)-2,3-dihydro-1,4-benzodioxinT2VR2E695H1,4-Benzodioxin, 2-(bromomethyl)-2,3-dihydro-NSC-106871QYLFKNVZIFTCIY-UHFFFAOYSA-DTXSID901301573EINECS 218-503-0NSC 106871
Weitere Namen anzeigen
AKOS 90TIMTEC-BB SBB0032902-BROMOMETHYL-1,4-BENZODIOXAN2-Bromomethyl-1,4-benzodioxane >2-Bromomethyl-1,4-benzodioxane,97%2-BroMoMethyl-1,4-benzodioxane, 97% 5GR2-(broMoMethyl)-3,4-dihydro-2H-chroMene2-Bromomethyl-2,3-dihydro-benzo[1,4]dioxine
RefChem:467277DTXCID501731663218-503-0InChI=1/C9H9BrO2/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,7H,5-6H22-(Bromomethyl)-2,3-dihydrobenzo[b][1,4]dioxine2-Bromomethyl-2,3-dihydrobenzo[1,4]dioxine3-(bromomethyl)-2,3-dihydro-1,4-benzodioxineMFCD00044831
Datenbank-Bezeichner
- CAS
2164-34-3- PubChem CID
- 98333
- DTXSID
DTXSID901301573- UNII
- T2VR2E695H
- EC Number
- 218-503-0
- Nikkaji
- J299.133K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,5
- Polarare Oberfläche (TPSA)
- 18,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 151
Physikochemische Eigenschaften
- Siedepunkt
- 250 · 250-251 °C(lit.)
- Dichte
- 1.533 g/mL · 1.533 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.5720(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Light yellow to Light orange
- BRN
- 150154 · 150154
- InChI
- InChI=1S/C9H9BrO2/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,7H,5-6H2
- InChIKey
- QYLFKNVZIFTCIY-UHFFFAOYSA-N
- SMILES
- O1C2=CC=CC=C2OCC1CBr
- CAS Datenbank
- 2164 · 2164-34-3(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (17%): 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 47 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 (17%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 3082 9/PG 3
- hs_code
- 29329900
- risk_code
- 36-51/53
- hazard_code
- Xi,N
- safety_code
- 26-60-61
- Speicherklasse
- 12 - Non Combustible Liquids
- Hazard Classifications
- Eye Irrit. 2
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