2,6-Dibromoaniline (HCID 69098)

Namen und Bezeichner

Bevorzugter Name: 2,6-Dibromoaniline
IUPAC: 2,6-dibromoaniline
Lokaler Name: 2,6-Dibromanilin
Englischer Name: 2,6-Dibromoaniline
Summenformel: C6H5Br2N
Molmasse: 250.92

Namen und Synonyme

2,6-Dibromoaniline608-30-0Aniline, 2,6-dibromo-2,6-DibromobenzenamineEINECS 210-158-4DTXSID10209643NSC 305RefChem:83143DTXCID60132134210-158-4InChI=1/C6H5Br2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9HXIRRDAWDNHRRLB-UHFFFAOYSA-N

Weitere Namen anzeigen

2,6-DibromanilinDibromoaniline2,6-DibromoaniL2,6-Bibromoaniline2,6-Dibrormoaniline

Benzenamine, 2,6-dibromo-2,6-dibromophenylamineMFCD000076382,6-Dibromobenzanamine2,6-Dibromoanilin2768654-99-3Benzenamine,2,6-dibromo-2,6-Dibromobenzenamine-d3

Datenbank-Bezeichner

CAS: 608-30-0
PubChem CID: 69098
DTXSID: DTXSID10209643
EC Number: 210-158-4
Nikkaji: J95.569H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 87

Experimentelle und physikochemische Eigenschaften

Physical DescriptionBeige crystalline solid; [Sigma-Aldrich MSDS]

Kovats Retention Index1370；1370

Physikochemische Eigenschaften

Schmelzpunkt: 80 · 80-82 °C (lit.)
Siedepunkt: 262 · 262-264 °C (lit.)
Dichte: 1.9318 · 1.9318 (rough estimate)
Brechungsindex: 1.58 · 1.5800 (estimate)
Flammpunkt: 262 · 262-264°C
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Chloroform, Methanol
pka: 0.48 · 0.48±0.10(Predicted)
Aggregatzustand: Crystalline Powder
Farbe: White to pale yellow or gray
Wasserlöslichkeit: Insoluble in water.
BRN: 2207094 · 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 · 608-30-0(CAS DataBase Reference)
NIST chemische Informationen: 2 · Benzenamine, 2,6-dibromo-(608-30-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (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 exposure; Respiratory 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.

Gefahrenhinweise

Hazards Summary · 1 Eintrag

A skin and strong eye irritant; May induce methemoglobinemia; May 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 CategoriesAcute Tox. 4 (16.7%)；Acute Tox. 3 (10.4%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (81.2%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (16.7%)；STOT SE 3 (95.8%)

Toxikologische Informationen

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect

Sicherheitsdaten

F: 10
wgk: 3
ridadr: 2811
hs_code: 29214200
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: 6.1
packing_group: III
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden2,5-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.