2-Brommethyl-1,3-dioxolan

1,3-Dioxolane, 2-(bromomethyl)-

HCID 78068CAS 4360-63-8

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Grundinformationen

Standard-SMILES: BrCC1OCCO1
InChIKey: CKIIJIDEWWXQEA-UHFFFAOYSA-N
Summenformel: C4H7BrO2
Durchschnittliche Molmasse: 167 g/mol
Monoisotopische Masse: 165,96294156

Namen und Bezeichner

Bevorzugter Name: 1,3-Dioxolane, 2-(bromomethyl)-
IUPAC: 2-(bromomethyl)-1,3-dioxolane
Lokaler Name: 2-Brommethyl-1,3-dioxolan
Englischer Name: 2-Bromomethyl-1,3-dioxolane
Summenformel: C4H7BrO2
Molmasse: 167

Namen und Synonyme

2-Bromomethyl-1,3-dioxolane4360-63-82-(bromomethyl)-1,3-dioxolane1,3-Dioxolane, 2-(bromomethyl)-EINECS 224-443-6DTXSID1063431CKIIJIDEWWXQEA-UHFFFAOYSA-RefChem:414886DTXCID8040276224-443-6InChI=1/C4H7BrO2/c5-3-4-6-1-2-7-4/h4H,1-3H2Bromoacetaldehyde ethylene acetal

Weitere Namen anzeigen

2-(bromomethyl)-3-dioxolane2-Bromomethyl-1,3-diBrassicasterol Impurity 292-Brommethyl-,1,3-dioxolane2-Bromomethyl-1,3-dioxolane 96%2-Bromomethyl-1,3-dioxolane >

MFCD00003214(1,3-Dioxolan-2-yl)methyl bromide2-bromomethyl-1,3-dioxolan2-bromomethyl-[1,3]dioxolane(1,3-dioxolan-2-yl)methylbromideO10502Bromoacetaldehyde diethyl acetallbromomethyl dioxolane

Datenbank-Bezeichner

CAS: 4360-63-8
PubChem CID: 78068
DTXSID: DTXSID1063431
EC Number: 224-443-6
Nikkaji: J205.742E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,6
Polarare Oberfläche (TPSA): 18,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 7
Formalladung: 0
Komplexität: 51,7

Experimentelle und physikochemische Eigenschaften

Density1.613 @25 °C

Physikochemische Eigenschaften

Siedepunkt: 80 · 80-82 °C27 mm Hg(lit.)
Dichte: 1.613 g/mL · 1.613 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.482(lit.)
Flammpunkt: 145 °F · 145 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Chloroform, Ethyl Acetate (Slightly)
Aggregatzustand: Liquid
Farbe: Clear colorless
Wasserlöslichkeit: Immiscible with water.
BRN: 103309 · 103309
InChI: 1S/C4H7BrO2/c5-3-4-6-1-2-7-4/h4H,1-3H2
InChIKey: CKIIJIDEWWXQEA-UHFFFAOYSA-N
SMILES: BrCC1OCCO1
CAS Datenbank: 4360 · 4360-63-8(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2-Bromomethyl-1,3-dioxolane(4360-63-8)
EPA chemische Informationen: 1 · 1,3-Dioxolane, 2-(bromomethyl)- (4360-63-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): 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 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: 1,3-Dioxolane, 2-(bromomethyl)-

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

1,3-Dioxolane, 2-(bromomethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheit und Schutzausrüstung

Protective Action Criteria (PAC) · 3 Einträge

12 [mg/m3]

130 [mg/m3]

790 [mg/m3]

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29049090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-24/25
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information1,3-Dioxolane, 2-(bromomethyl)-: ACTIVE

Anwendungen

Verwenden2-Bromomethyl-1,3-dioxolane is used in the preparation of alfa, beta-unsaturated aldehyde and 1, 4-two aldehyde monoacetals synthesis of monomers.