1-Bromo-2-butanone (HCID 13156)

Überblick

1-bromo-2-butanone appears as a colorless to straw-colored liquid. Toxic by inhalation, skin contact or ingestion.

Namen und Bezeichner

Bevorzugter Name: 1-Bromo-2-butanone
IUPAC: 1-bromobutan-2-one
Lokaler Name: 1-Brombutanon
Englischer Name: 1-BROMO-2-BUTANONE
Summenformel: C4H7BrO
Molmasse: 151

Namen und Synonyme

1-BROMO-2-BUTANONE816-40-01-bromobutan-2-one2-Butanone, 1-bromo-Bromomethyl ethyl ketoneEINECS 212-431-3BRN 0741894DTXSID002312164-01-00-03258 (Beilstein Handbook Reference)RefChem:75057DTXCID00153707CCXQVBSQUQCEEO-UHFFFAOYSA-N

Weitere Namen anzeigen

1-Brombutanon-(2)tl8191-bromo-2-butanonBrommethylethylketon

1-BromobutanoneTL 8191-bromo-butan-2-oneMFCD000002074UPM4J7CVAbromobutanonebromobutan-2-one2-Oxobutyl bromide

Datenbank-Bezeichner

CAS: 816-40-0
PubChem CID: 13156
DTXSID: DTXSID00231216
UNII: 4UPM4J7CVA
EC Number: 212-431-3
Nikkaji: J42.075A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,2
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 6
Formalladung: 0
Komplexität: 51,5

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesBoiling point

Physical Description1-bromo-2-butanone appears as a colorless to straw-colored liquid. Toxic by inhalation, skin contact or ingestion.

Physikochemische Eigenschaften

Siedepunkt: 105 °C150 · 105 °C150 mm Hg(lit.)
Dichte: 1.479 g/mL · 1.479 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.465(lit.)
Flammpunkt: 155 °F · 155 °F
storage temp.: Keep Cold
Aggregatzustand: Liquid
Wichte: 1.479 · 1.479
Farbe: Colorless to light yellow
BRN: 741894 · 741894
InChI: InChI=1S/C4H7BrO/c1-2-4(6)3-5/h2-3H2,1H3
InChIKey: CCXQVBSQUQCEEO-UHFFFAOYSA-N
SMILES: C(Br)C(=O)CC
CAS Datenbank: 816 · 816-40-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (91.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

DOT LabelPoison

Fire HazardsExcerpt from ERG Guide 159 [Substances (Irritating)]:

Health HazardsExcerpt from ERG Guide 159 [Substances (Irritating)]:

Reactive GroupHalogenated Organic Compounds

Reactivity ProfileSome of these materials may burn, but none ignite readily. Containers may explode when heated.

Air and Water ReactionsWater soluble.

Sicherheit und Schutzausrüstung

Fire FightingExcerpt from ERG Guide 159 [Substances (Irritating)]:

First AidExcerpt from ERG Guide 159 [Substances (Irritating)]:

Nonfire Spill ResponseExcerpt from ERG Guide 159 [Substances (Irritating)]:

Isolation and EvacuationExcerpt from ERG Guide 159 [Substances (Irritating)]:

Personal Protective Equipment (PPE)Excerpt from ERG Guide 159 [Substances (Irritating)]:

Toxikologische Informationen

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

Sicherheitsdaten

wgk: 3
ridadr: 1693
hs_code: 29147000
RTECS-Nr.: EL7000000
risk_code: 20/21/22-36/37/38
hazard_code: Xn,Xi,F
hazard_note: Harmful/Irritant/Lachrymatory
safety_code: 26-27-36/37/39
hazard_class: 6.1
packing_group: III
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden1-Bromo-2-butanone (bromomethyl ethyl ketone) was used as a potential regulatory site-directed reagent for the residue C221 on pyruvate decarboxylase. It was also used as a reagent for aromatic bromination with sodium hydride in DMSO and in a microwave-assisted preparation of fused heterocycles.