4-bromo-N,N-dimethylaniline (HCID 11465)

Namen und Bezeichner

Bevorzugter Name: 4-bromo-N,N-dimethylaniline
IUPAC: 4-bromo-N,N-dimethylaniline
Lokaler Name: 4-Brom-N,N-dimethylanilin
Englischer Name: 4-Bromo-N,N-dimethylaniline
Summenformel: C8H10BrN
Molmasse: 200.08

Namen und Synonyme

4-Bromo-N,N-dimethylaniline586-77-6p-Bromo-N,N-dimethylaniline4-DimethylaminobromobenzeneBenzenamine, 4-bromo-N,N-dimethyl-N,N-Dimethyl-4-bromoaniline1-Bromo-4-(dimethylamino)benzenep-Dimethylaminobromobenzenep-(Dimethylamino)phenyl bromidep-Bromo(dimethylamino)benzeneANILINE, 4-BROMO-N,N-DIMETHYL-p-N,N-Dimethylaminobromobenzene

Weitere Namen anzeigen

N-diMethylanilinep-Br-DMA4-BroMo-N4-(Dimethylami4-Bromo-N,N-dimethylBROMODIMETHYLANILINEUlipristal Impurity 144-bromo-dimethylanilineN, N-diMethyl-broMoaniline

4-(Dimethylamino)phenyl bromideAniline, p-bromo-N,N-dimethyl-NSC 8056EINECS 209-582-2N,NDimethylpbromoanilinepBromoN,NdimethylanilineN,NDimethyl4bromoanilinepDimethylaminobromobenzene

Datenbank-Bezeichner

CAS: 586-77-6
PubChem CID: 11465
DTXSID: DTXSID2060414
ChEMBL: CHEMBL3098160
UNII: K49ZS2E9KX
EC Number: 209-582-2
Nikkaji: J55.361A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,2
Polarare Oberfläche (TPSA): 3,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 95

Experimentelle und physikochemische Eigenschaften

Physical DescriptionOff-white crystalline solid; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 52 · 52-54 °C (lit.)
Siedepunkt: 264 °C · 264 °C (lit.)
Dichte: 1.322 · 1.3220
Brechungsindex: 1.5748 · 1.5748 (estimate)
Flammpunkt: 230 °F · >230 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: Chloroform, Methanol
Aggregatzustand: Crystalline Solid
pka: 4.23 · 4.23(at 25℃)
Farbe: White to gray or light blue
Wasserlöslichkeit: Soluble in methanol. Insoluble in water.
BRN: 2206155 · 2206155
Stabilität: Stable. Incompatible with oxidizing agents, acids, metals.
InChI: 1S/C8H10BrN/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,1-2H3
InChIKey: XYZWMVYYUIMRIZ-UHFFFAOYSA-N
SMILES: CN(C)c1ccc(Br)cc1
CAS Datenbank: 586 · 586-77-6(CAS DataBase Reference)
NIST chemische Informationen: 4 · 4-Bromo-N,N-dimethylaniline(586-77-6)
EPA chemische Informationen: N,N-Dimethyl-p-bromoaniline (586-77-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (98.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (96.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (98.4%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (98.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (96.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 64 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

Regulatory Information · 2 Einträge

Status: Active Update: 28-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20096

Benzenamine, 4-bromo-N,N-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; May induce methemoglobinemia; Harmful by inhalation; Toxic by ingestion and skin absorption; [Alfa Aesar MSDS] See 4-Chloroaniline and 4-Bromoaniline.

Hazard Classes and CategoriesAcute Tox. 4 (98.4%)；Acute Tox. 4 (96.9%)；Skin Irrit. 2 (98.4%)；Eye Irrit. 2 (98.4%)；Acute Tox. 4 (96.9%)

Toxikologische Informationen

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

Regulatorische Informationen

Regulatory Information · 2 Einträge

Status: Active Update: 28-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20096

Benzenamine, 4-bromo-N,N-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

F: 8
wgk: 3
tsca: TSCA listed
ridadr: 2811
hs_code: 29214290
RTECS-Nr.: BW9300000
risk_code: 20/21/22-36/38-33-22
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 26-36-45-37-28A
hazard_class: 6.1(b)
packing_group: III
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzenamine, 4-bromo-N,N-dimethyl-: ACTIVE

Anwendungen

Verwenden4-Bromo-N,N-dimethylaniline is used as an internal standard in the determination of iodine present as iodide (as in pharmaceuticals), iodate (as in iodized table salt) and covalently bound to organic compounds (as in milk and vegetables).