2-Bromo-4-isopropylaniline (HCID 521337)

Namen und Bezeichner

Bevorzugter Name: 2-Bromo-4-isopropylaniline
IUPAC: 2-bromo-4-propan-2-ylaniline
Englischer Name: 2-Bromo-4-isopropylaniline
Summenformel: C9H12BrN
Molmasse: 214.1

Namen und Synonyme

2-Bromo-4-isopropylaniline51605-97-1DTXSID70334622RefChem:85733DTXCID80285712674-067-5WEMDUNBELVTSRP-UHFFFAOYSA-NBenzenamine, 2-bromo-4-(1-methylethyl)-MFCD000515852-bromo-4-propan-2-ylaniline2-bromo-4-(propan-2-yl)aniline2-bromo-4-isopropyl aniline

Weitere Namen anzeigen

2-Bromo-4-isopropyL4-Isopropyl-2-bromoaniline2-Bromo-4-(prop-2-yl)aniline2-Bromo-4-isopropylaniline >2-Bromo-4-isopropylbenzenamine2-(4Amino-3bromophenyl)propane2-BROMO-4-ISOPROPYL-PHENYLAMINE2-bromo-4-isopropylbenzeneamine

SCHEMBL8405442-bromo-4-(2-propyl)aniline2-bromo-4-(1-methylethyl)anilineBCA60597AKOS0158351372-Bromo-4-isopropylaniline, AldrichCPRAS-40499SY017092

Datenbank-Bezeichner

CAS: 51605-97-1
PubChem CID: 521337
DTXSID: DTXSID70334622
EC Number: 674-067-5
Nikkaji: J1.096.562D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,1
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 125

Physikochemische Eigenschaften

Siedepunkt: 116 °C · 116 °C
Dichte: 1.35 · 1.35
Brechungsindex: 1.575 to · 1.5750 to 1.5790
Flammpunkt: 116 · 116-118°C/3mm
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 2.94 · 2.94±0.10(Predicted)
Aggregatzustand: clear liquid
Farbe: Colorless to Yellow
Wichte: 1.35 · 1.35
Wasserlöslichkeit: Miscible with dioxane and ethoxyethanol. Immiscible with water.
BRN: 2638470 · 2638470
InChI: InChI=1S/C9H12BrN/c1-6(2)7-3-4-9(11)8(10)5-7/h3-6H,11H2,1-2H3
InChIKey: WEMDUNBELVTSRP-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(C(C)C)C=C1Br
CAS Datenbank: 51605 · 51605-97-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302+H312+H332 (12.5%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (87.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (87.5%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (87.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (37.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 5 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

Hazard Classes and CategoriesAcute Tox. 4 (87.5%)；Acute Tox. 4 (87.5%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (87.5%)；STOT SE 3 (37.5%)

Sicherheitsdaten

ridadr: UN2810
hs_code: 2921420090
risk_code: 36/37/38-22
hazard_code: Xi,Xn
safety_code: 26-36/37/39
hazard_class: 6.1
packing_group: III

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-Bromo-4-isopropylaniline is involved in the preparation of 4-(5-aryl-1, 2, 3, 6-tetrahydropyridino) pyrimidine derivatives and 4-substituted-2-anilinopyrimidine derivatives, which find application as corticotropin releasing factor (CRF) antagonists.