3-Brom-o-xylol

3-Bromo-o-xylene

HCID 68472CAS 576-23-8

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: Cc1cccc(Br)c1C
InChIKey: WLPXNBYWDDYJTN-UHFFFAOYSA-N
Summenformel: C8H9Br
Durchschnittliche Molmasse: 185,06 g/mol
Monoisotopische Masse: 183,98876

Namen und Bezeichner

Bevorzugter Name: 3-Bromo-o-xylene
IUPAC: 1-bromo-2,3-dimethylbenzene
Lokaler Name: 3-Brom-o-xylol
Englischer Name: 2,3-Dimethylbromobenzene
Summenformel: C8H9Br
Molmasse: 185.06

Namen und Synonyme

3-Bromo-o-xyleneEINECS 209-398-2DTXSID90206231NSC 76561RefChem:499288DTXCID90128722209-398-2576-23-82,3-Dimethylbromobenzene1-Bromo-2,3-dimethylbenzene3-Bromo-1,2-dimethylbenzene1-bromo-2,3-dimethyl-benzene

Weitere Namen anzeigen

3-Brom-o-xylol3-Bromo-1-xylene3-Bromoxylene,99%3-Bromo-1，2-xylene3-Bromoxylene, 99%3-Bromo-o-xylene,99%3-Bromo-1,2-dimethyL

2,3-Dimethyl bromobenzeneBenzene, 1-bromo-2,3-dimethyl-MFCD00000069NSC-76561bromoxileneXylylbromidbromo-o-xyleneNSC76561

Datenbank-Bezeichner

CAS: 576-23-8
PubChem CID: 68472
DTXSID: DTXSID90206231
UNII: MMB6CL2XRC
EC Number: 209-398-2
Nikkaji: J94.992B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,7
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 90

Physikochemische Eigenschaften

Schmelzpunkt: -20.49 °C · -20.49°C (estimate)
Siedepunkt: 214 °C · 214 °C(lit.)
Dichte: 1.365 g/mL · 1.365 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.560(lit.)
Flammpunkt: 177 °F · 177 °F
storage temp.: 30 °C · Store below +30°C.
Löslichkeit: soluble in Chloroform, DMSO, Methanol
Aggregatzustand: Liquid
Farbe: Clear colorless
Wichte: 1.365 · 1.365
Wasserlöslichkeit: Not miscible or difficult to mix in water.
BRN: 2077312 · 2077312
InChI: 1S/C8H9Br/c1-6-4-3-5-8(9)7(6)2/h3-5H,1-2H3
InChIKey: WLPXNBYWDDYJTN-UHFFFAOYSA-N
SMILES: Cc1cccc(Br)c1C
CAS Datenbank: 576 · 576-23-8(CAS DataBase Reference)
NIST chemische Informationen: 1 · Benzene, 1-bromo-2,3-dimethyl-(576-23-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (98.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (92.5%): 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 53 reports by companies from 12 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.