Grundinformationen
- Standard-SMILES
CC(C)(Br)C(=O)Br- InChIKey
YOCIJWAHRAJQFT-UHFFFAOYSA-N- Summenformel
- C4H6Br2O
- Durchschnittliche Molmasse
- 229,9 g/mol
- Monoisotopische Masse
- 227,87853901
Namen und Bezeichner
- Bevorzugter Name
- 2-Bromo-2-methylpropionyl bromide
- IUPAC
- 2-bromo-2-methylpropanoyl bromide
- Lokaler Name
- 2-Brom-2-methylpropionylbromid
- Englischer Name
- 2-Bromoisobutyryl Bromide
- Summenformel
- C4H6Br2O
- Molmasse
- 229.9
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
20769-85-1- PubChem CID
- 88685
- DTXSID
DTXSID7045077- UNII
- 627F9N9DYA
- EC Number
- 244-017-3
- Nikkaji
- J93.725H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,2
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 87,7
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Siedepunkt
- 162 · 162-164 °C(lit.)
- Dichte
- 1.86 g/mL · 1.86 g/mL at 20 °C
- Brechungsindex
- 20 · n20/D 1.507(lit.)
- Flammpunkt
- 110 °C · >110°C
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- Miscible with acetone and carbon disulfide.
- Aggregatzustand
- Liquid
- Wichte
- 1.86 · 1.860 (20/4℃)
- Farbe
- Clear light yellow to yellow
- Wasserlöslichkeit
- reacts
- BRN
- 1746128 · 1746128
- Stabilität
- Stable, but may react with moisture. Incompatible with water, strong oxidizing agents, strong bases.
- InChI
- 1S/C4H6Br2O/c1-4(2,6)3(5)7/h1-2H3
- InChIKey
- YOCIJWAHRAJQFT-UHFFFAOYSA-N
- SMILES
- CC(C)(Br)C(Br)=O
- CAS Datenbank
- 20769 · 20769-85-1(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · Propanoyl bromide, 2-bromo-2-methyl-(20769-85-1)
- EPA chemische Informationen
- 2 · Propanoyl bromide, 2-bromo-2-methyl- (20769-85-1)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302 (86.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 51 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazards Summary
Causes burns; May cause skin sensitization; Harmful by ingestion; Possible human mutagen; [ECHA REACH Registrations] Corrosive to rabbit skin; 95% sensitization rate in guinea pig maximization study; [EPA - TSCATS] Reacts violently with water; Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS]
Toxikologische Informationen
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3265 8/PG 2
- hs_code
- 29159080
- risk_code
- 22-34
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- packing_group
- II
- Speicherklasse
- 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
Verwenden2-Bromoisobutyryl bromide is used to prepare N-protected halodienamide, which provides four- and five-membered lactams in the presence of copper(I) and a tertiary amine. Further, it is used as atom transfer radical polymerization(ATRP) initiator for functionalization of hydroxyl groups present on the surface of graphene oxide. It is also used in preparation of polycaprolactone macroinitiators through reaction with oligomeric caprolactone diol and mesoporous silica nanoparticles with ATRP initiator anchored on the exterior surface.
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