1-Brom-2,2-dimethylpropan

1-Bromo-2,2-dimethylpropane

HCID 12415

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 630-17-1
Standard-SMILES: CC(C)(C)CBr
InChIKey: CQWYAXCOVZKLHY-UHFFFAOYSA-N
Summenformel: C5H11Br
Durchschnittliche Molmasse: 151,04 g/mol
Monoisotopische Masse: 150,00441245

Überblick

structure given in first source

Namen und Bezeichner

Bevorzugter Name: 1-Bromo-2,2-dimethylpropane
IUPAC: 1-bromo-2,2-dimethylpropane
Lokaler Name: 1-Brom-2,2-dimethylpropan
Englischer Name: 1-BROMO-2,2-DIMETHYLPROPANE
Summenformel: C5H11Br
Molmasse: 151.04

Namen und Synonyme

1-Bromo-2,2-dimethylpropane630-17-1NEOPENTYL BROMIDEPropane, 1-bromo-2,2-dimethyl-DTXSID2060886RefChem:165328DTXCID3043607211-132-51-bromo-2,2-dimethyl-propaneCCRIS 4895neo-pentyl bromideEINECS 211-132-5

Weitere Namen anzeigen

1-bromo-2,2-dimethyl-propancas no 630-17-11-Bromo-2,2-dimethyLNeopentylbromide,98%Neo-pentyl Bromide 97%1-BROMO-2,2-DIMETHYLPRNeopentyl broMide, 98% 5GR2,2-DIMETHYL-1-BROMOPROPANE

MFCD000002091-Bromo-2,2-dimethylpropane, 98%(CH3)3CCH2BrAKOS005207080AB91626D78161F0001-1708Neopentylbromde

Datenbank-Bezeichner

CAS: 630-17-1
PubChem CID: 12415
DTXSID: DTXSID2060886
EC Number: 211-132-5
Nikkaji: J95.691K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,7
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 1
Schwere Atome: 6
Formalladung: 0
Komplexität: 33,7

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated

SpringerMaterials PropertiesBoiling point

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: -105.4 °C · -105.4°C (estimate)
Siedepunkt: 105 · 105-106 °C/767 mmHg (lit.)
Dichte: 1.199 g/mL · 1.199 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.436(lit.)
Flammpunkt: 44 °F · 44 °F
storage temp.: 2 · 2-8°C
Aggregatzustand: liquid
Wasserlöslichkeit: Soluble in ethanol, ether, aetone and benzene. Insoluble in water.
BRN: 1730989 · 1730989
Stabilität: Stable. Highly flammable. Incompatible with strong oxidizing agents, strong bases.
InChI: InChI=1S/C5H11Br/c1-5(2,3)4-6/h4H2,1-3H3
InChIKey: CQWYAXCOVZKLHY-UHFFFAOYSA-N
SMILES: C(Br)C(C)(C)C
CAS Datenbank: 630 · 630-17-1(CAS DataBase Reference)
EPA chemische Informationen: 1 · Propane, 1-bromo-2,2-dimethyl- (630-17-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazards SummaryAn irritant; [Alfa Aesar MSDS] See 2-Bromopentane. See 1,3-Dibromo-2,2-dimethylpropane. See 1-Chloro-2,2-dimethylpropane.

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 2
hs_code: 29033919
risk_code: 11-36/37/38
hazard_code: F,Xi
safety_code: 26
hazard_class: 3
packing_group: II
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationPropane, 1-bromo-2,2-dimethyl-: ACTIVE

Anwendungen

VerwendenNeopentyl bromide is used in synthesis of S-alkylated cysteine derivatives with branched alkyl chains. It can be used in agrochemical, pharmaceutical and dyestuff field .