Grundinformationen
- Standard-SMILES
CC(C)CBr- InChIKey
HLVFKOKELQSXIQ-UHFFFAOYSA-N- Summenformel
- C4H9Br
- Durchschnittliche Molmasse
- 137,02 g/mol
- Monoisotopische Masse
- 135,98876239
Namen und Bezeichner
- Bevorzugter Name
- 1-Bromo-2-methylpropane
- IUPAC
- 1-bromo-2-methylpropane
- Lokaler Name
- 1-Brom-2-methylpropan
- Englischer Name
- 1-Bromo-2-methylpropane
- Summenformel
- C4H9Br
- Molmasse
- 137.02
Namen und Synonyme
1-Bromo-2-methylpropane78-77-3ISOBUTYL BROMIDEiso-Butyl bromidePropane, 1-bromo-2-methyl-i-Butyl bromideCCRIS 349DTXSID1052539NSC 8416EINECS 201-141-2UNII-5OEC0BW9875OEC0BW987
Weitere Namen anzeigen
bromoisobutaneIsobutylbromid1-Bromoisobutane1-Bromo-iso-butameIsobutylbromide,97%2-MethylpropylbromideISO BUTYL BROMIDE pure
iso-C4H9BrAI3-18130NSC-8416ISOBUTYL BROMIDE [MI]DTXCID2031112EC 201-141-2UN 23422Methylpropyl bromide
Datenbank-Bezeichner
- CAS
78-77-3- PubChem CID
- 6555
- DTXSID
DTXSID1052539- ChEMBL
CHEMBL346532- UNII
- 5OEC0BW987
- EC Number
- 201-141-2
- Nikkaji
- J1.482F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,3
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 5
- Formalladung
- 0
- Komplexität
- 17,6
Experimentelle und physikochemische Eigenschaften
Chemical ClassesFlammable agents - 3rd degree
SolventsSolvents -> Brominated Solvents
SpringerMaterials PropertiesBoiling point
LogP2.53
Vapor Pressure72.0 [mmHg]
Physical DescriptionColorless liquid; [Merck Index] Light yellow liquid; [Sigma-Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- -119 °C · -119 °C
- Siedepunkt
- 90 · 90-92 °C(lit.)
- Dichte
- 1.26 g/mL · 1.26 g/mL at 20 °C(lit.)
- Dampfdruck
- 41 hPa · 41 hPa (20 °C)
- Brechungsindex
- 20 · n20/D 1.435(lit.)
- Flammpunkt
- 65 °F · 65 °F
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- 0.51 g/l · 0.51g/l slightly soluble
- Aggregatzustand
- Liquid
- Farbe
- Clear colorless
- Wasserlöslichkeit
- 0.51 g/L · 0.51 g/L (18 ºC)
- Merck
- 14 · 14,5135
- BRN
- 1730915 · 1730915
- Henry's Law Constant
- 4.2 · 4.2×10-4 mol/(m3Pa) at 25℃, Hine and Mookerjee (1975)
- Dielectric constant
- 4 · 4.0(-7℃)
- Stabilität
- Volatile
- InChI
- 1S/C4H9Br/c1-4(2)3-5/h4H,3H2,1-2H3
- InChIKey
- HLVFKOKELQSXIQ-UHFFFAOYSA-N
- SMILES
- CC(C)CBr
- CAS Datenbank
- 78 · 78-77-3(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · Propane, 1-bromo-2-methyl-(78-77-3)
- EPA chemische Informationen
- 1 · Propane, 1-bromo-2-methyl- (78-77-3)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 99 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H225: Highly Flammable liquid and vapor [Danger Flammable liquids]
Gefahrenhinweise
Regulatory Information
Chemical: Propane, 1-bromo-2-methyl-
Status: Active Update: 01-07-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/10737
1-Bromo-2-methylpropane: Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See 2-Bromobutane and 1-Bromopropane.
Hazard Classes and Categories
Flam. Liq. 2 (100%)
Flammable liquids - Category 2
Flammable agents - 3rd degree
Toxikologische Informationen
Adverse EffectsNeurotoxin - Acute solvent syndrome
Toxicity DataLC50 (mouse) = 50,500 mg/m3
Sicherheitsdaten
- F
- 8
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2342 (BROMOMETHYLPROPANES)
- hs_code
- 29033036
- RTECS-Nr.
- TX4140000
- risk_code
- 11-37-36/37/38
- Toxizität
- LD50 orally in Rabbit: > 2000 mg/kg
- hazard_code
- F,Xi
- safety_code
- 16-23-37/39-26
- hazard_class
- 3
- packing_group
- II
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Flam. Liq. 2
Chemie und Industrie
Verwendung und Herstellung
UsesUsed to make large scale and fine chemicals; [ExPub: ECHA REACH Registrations]
General Manufacturing InformationPropane, 1-bromo-2-methyl-: ACTIVE
Anwendungen
Verwenden1-Bromo-2-methylpropane is used as a synthetic reagent for the preparation of 1-ethyl-1,3-isobutylimidazolium bromide by reaction with 1-ethylimidazole.
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