2,6-Dibromanilin

2,6-Dibromanilin · 2,6-Dibromobenzenamine · Dibromoaniline · 2,6-DibromoaniL · 2,6-Dibromoanilin · 2,6-DIBROMOANILINE · 2,6-Bibromoaniline · 2,6-Dibrormoaniline

https://huagongshe.com/de/chemical/69098

Identifikatoren & physikalische Daten

CAS No.	608-30-0
Summenformel	C6H5Br2N
Durchschnittliche Molmasse	250,92 g/mol
Monoisotopische Masse	248,87887 g/mol
SMILES	Nc1c(Br)cccc1Br
InChIKey	XIRRDAWDNHRRLB-UHFFFAOYSA-N
PubChem CID	69098
EC No.	210-158-4
DTXSID	DTXSID10209643
Lokaler Name	2,6-Dibromanilin

Chemische & physikalische Eigenschaften

XLogP	2,6
Polarare Oberfläche (TPSA)	26
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	0
Schwere Atome	9
Formalladung	0
Komplexität	87
Physical Description	Beige crystalline solid[Sigma-Aldrich MSDS]
Kovats Retention Index	1370
Schmelzpunkt	80-82 °C (lit.)
Siedepunkt	262-264 °C (lit.)
Dichte	1.9318 (rough estimate)
Brechungsindex	1.5800 (estimate)
Flammpunkt	262-264°C
Lagerbedingungen	Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit	Chloroform, MethanolInsoluble in water.
pKa (Säurekonstante)	0.48±0.10(Predicted)
Aggregatzustand	Crystalline Powder
Farbe	White to pale yellow or gray
BRN	2207094
InChI	1S/C6H5Br2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2
InChIKey	XIRRDAWDNHRRLB-UHFFFAOYSA-N
SMILES	Nc1c(Br)cccc1Br
CAS Datenbank	608-30-0(CAS DataBase Reference)
NIST chemische Informationen	Benzenamine, 2,6-dibromo-(608-30-0)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]H311 (10.4%): Toxic in contact with skin [Danger Acute toxicity, dermal]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (81.2%): May cause an allergic skin reaction [Warning Sensitization, Skin]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (16.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (95.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P262, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 8 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.
Gefahrenübersicht	A skin and strong eye irritantMay induce methemoglobinemiaMay cause skin sensitization[Sigma-Aldrich MSDS] See 2,4,6-Tribromoaniline, 2-Bromoaniline, and 4-Bromoaniline. Search for (608-30-0[EC/RN Number]) AND (allergic OR dermatitis OR sensitization OR sensitizer): no results[PubMed]
Hazard Classes and Categories	Acute Tox. 4 (16.7%)Acute Tox. 3 (10.4%)Skin Irrit. 2 (100%)Skin Sens. 1 (81.2%)Eye Irrit. 2 (100%)STOT SE 3 (95.8%)
Unerwünschte Wirkungen	Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect
F	10
Wassergefährdungsklasse (WGK)	3
UN-Transportnummer	2811
Zollcode	29214200
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
Sicherheitshinweise (S)	26-36
Gefahrenklasse	6.1Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
Verpackungsgruppe	III
Lagerklasse	11 - Combustible Solids

Anwendungen & Verwendung

Verwenden

2,5-Dibromoaniline was used in the synthesis of 2,4,5-tribromoaniline1. It was also used as starting reagent in the regioselective synthesis of 2-(3,4-dimethoxyphenyl)-5-bromobenzothiazole.