1,2-Dibrombutan

1,2-Dibromobutane

HCID 10792CAS 533-98-2

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Grundinformationen

Standard-SMILES: CCC(Br)CBr
InChIKey: CZWSZZHGSNZRMW-UHFFFAOYSA-N
Summenformel: C4H8Br2
Durchschnittliche Molmasse: 215,91 g/mol
Monoisotopische Masse: 213,89928

Namen und Bezeichner

Bevorzugter Name: 1,2-Dibromobutane
IUPAC: 1,2-dibromobutane
Lokaler Name: 1,2-Dibrombutan
Englischer Name: 1,2-Dibromobutane
Summenformel: C4H8Br2
Molmasse: 215.91

Namen und Synonyme

1,2-DIBROMOBUTANE533-98-2Butane, 1,2-dibromo-alpha-Butylene dibromide.alpha.-Butylene dibromide8471F50VJINSC 6181UNII-8471F50VJINSC-6181EINECS 208-581-4AI3-14677DTXSID90870592

Weitere Namen anzeigen

1,2-Dibrombutan1,2-Dibomobutane1,2-dibromo-butanα-butylenedibromidebutane,1,2-dibromo-1,2-Dibromobutane98%1,2-BUTYLENE BROMIDEA-BUTYLENE DIBROMIDE1,2-Dibromobutane,97%

.alpha.-Butylene bromide.ALPHA.-BUTYLENE DIBROMIDE [MI]alpha-Butylene bromide1,2DibromobutaneButane, 1,2dibromoRefChem:71827DTXCID60818300(+-)-1,2-DIBROMOBUTANE

Datenbank-Bezeichner

CAS: 533-98-2
PubChem CID: 10792
DTXSID: DTXSID90870592
UNII: 8471F50VJI
EC Number: 208-581-4
Nikkaji: J417K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,7
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 2
Schwere Atome: 6
Formalladung: 0
Komplexität: 28

Experimentelle und physikochemische Eigenschaften

Vapor Pressure3.1 [mmHg]

Physical DescriptionYellowish liquid; [Merck Index] Colorless liquid; [Sigma-Aldrich MSDS]

Kovats Retention Index · 2 Einträge

944；946；946.2

943；960

Physikochemische Eigenschaften

Schmelzpunkt: -65 °C · -65°C
Siedepunkt: 59 · 59-60 °C/20 mmHg (lit.)
Dichte: 1.789 g/mL · 1.789 g/mL at 25 °C (lit.)
Brechungsindex: 1.513 · 1.513-1.515
Flammpunkt: 110 °C · >110°C
storage temp.: 2 · Storage temp. 2-8°C
Löslichkeit: alcohol: miscible(lit.)
Aggregatzustand: clear liquid
Farbe: Colorless to Light yellow
Merck: 14 · 14,1566
BRN: 1731380 · 1731380
InChI: InChI=1S/C4H8Br2/c1-2-4(6)3-5/h4H,2-3H2,1H3
InChIKey: CZWSZZHGSNZRMW-UHFFFAOYSA-N
SMILES: C(Br)C(Br)CC
CAS Datenbank: 533 · 533-98-2(CAS DataBase Reference)
NIST chemische Informationen: 1 · Butane, 1,2-dibromo-(533-98-2)
EPA chemische Informationen: 1 · Butane, 1,2-dibromo- (533-98-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazards SummaryA skin and strong eye irritant; Harmful by ingestion, inhalation, and skin absorption; [Sigma-Aldrich MSDS] See 2-Bromobutane and 1-Bromopropane.

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (97.8%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: 2810
hs_code: 29033919
risk_code: 36/38-36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 37/39-26
hazard_class: 6.1(b)
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