Hexane, 1,2-dibromo-

HCID 102451CAS 624-20-4

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Grundinformationen

Standard-SMILES: CCCCC(Br)CBr
InChIKey: NUUUANNAZVEWHM-UHFFFAOYSA-N
Summenformel: C6H12Br2
Durchschnittliche Molmasse: 243,97 g/mol
Monoisotopische Masse: 241,93058

Namen und Bezeichner

Bevorzugter Name: Hexane, 1,2-dibromo-
IUPAC: 1,2-dibromohexane
Englischer Name: 1,2-Dibromohexane
Summenformel: C6H12Br2
Molmasse: 243.97

Namen und Synonyme

1,2-Dibromohexane624-20-4Hexane, 1,2-dibromo-DTXSID40883511RefChem:146111DTXCID001023039613-031-5NUUUANNAZVEWHM-UHFFFAOYSA-N1,2-dibromo-hexaneMFCD002393461,2-Dibromohexane, 98%SCHEMBL95808

Weitere Namen anzeigen

1,2-Dbromohexane1,2-dibromo-hexan1,2-DIBROMOHEXANE, 97+%1-(4-cyclohexylphenyl)-2-(dibutylamino)ethanol

SCHEMBL597769SCHEMBL623787SCHEMBL7871159AKOS015913228AS-76895SY357027CS-0297339NS00123887

Datenbank-Bezeichner

CAS: 624-20-4
PubChem CID: 102451
DTXSID: DTXSID40883511
EC Number: 613-031-5
Nikkaji: J79.762F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,6
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 4
Schwere Atome: 8
Formalladung: 0
Komplexität: 45

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index · 2 Einträge

1135

1129

Physikochemische Eigenschaften

Siedepunkt: 89 · 89-90 °C/18 mmHg (lit.)
Dichte: 1.577 g/mL · 1.577 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.503(lit.)
Flammpunkt: 230 °F · >230 °F
InChI: 1S/C6H12Br2/c1-2-3-4-6(8)5-7/h6H,2-5H2,1H3
InChIKey: NUUUANNAZVEWHM-UHFFFAOYSA-N
SMILES: CCCCC(Br)CBr
EPA chemische Informationen: 1 · Hexane, 1,2-dibromo- (624-20-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 39 reports by companies from 2 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.