2-Butyl-5-chloro-1H-imidazole-4-carbaldehyde (HCID 55176)

Namen und Bezeichner

Bevorzugter Name: 2-Butyl-5-chloro-1H-imidazole-4-carbaldehyde
IUPAC: 2-butyl-5-chloro-1H-imidazole-4-carbaldehyde
Englischer Name: 2-Butyl-4-chloro-5-formylimidazole
Summenformel: C8H11ClN2O
Molmasse: 186.64

Namen und Synonyme

83857-96-92-Butyl-4-chloro-5-formylimidazole2-BUTYL-5-CHLORO-1H-IMIDAZOLE-4-CARBALDEHYDE2-butyl-4-chloro-1H-imidazole-5-carbaldehyde2-Butyl-5-chloro-1H-imidazole-4-carboxaldehyde1H-Imidazole-4-carboxaldehyde, 2-butyl-5-chloro-7H170U0SWE2-n-Butyl-4-chloro-5-imidazolecarboxaldehyde2-n-butyl-5-chlorimidazole-4-carbaldehydeEC 410-260-02-n-butyl-4-chloro-1H-imidazole-5-carboxaldehydeLOSARTAN POTASSIUM IMPURITY D [EP IMPURITY]

Weitere Namen anzeigen

BCFI2-Butyl-4-Chloro-5-Formyl-1H-Imidazole2-Butyl-4-chloroimidazole-5-carboxaldehydeLosaint-AALSTint-A03Losartan potassium-1LOSARTAN INTERMEDIATES

4-CHLORO-2-N-BUTYLIMIDAZOLE-5-CARBOXALDEHYDE2-BUTYL-5-CHLORO-3H-IMIDAZOLE-4-CARBOXALDEHYDELOSARTAN POTASSIUM IMPURITY D (EP IMPURITY)RefChem:468119410-260-0617-494-42-Butyl-4-Chloro-1H-Imidazole-5-CarboxaldehydeLosartan EP Impurity D

Datenbank-Bezeichner

CAS: 83857-96-9
PubChem CID: 55176
DTXSID: DTXSID4075039
ChEMBL: CHEMBL3933368
UNII: 7H170U0SWE
EC Number: 410-260-0、617-494-4
Nikkaji: J513.788H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,5
Polarare Oberfläche (TPSA): 45,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 4
Schwere Atome: 12
Formalladung: 0
Komplexität: 154

Physikochemische Eigenschaften

Schmelzpunkt: 97 · 97-100 °C(lit.)
Siedepunkt: 384.1 · 384.1±22.0 °C(Predicted)
Dichte: 1.24 · 1.240
Dampfdruck: 0.001 Pa · 0.001Pa at 25℃
storage temp.: 2 · Inert atmosphere,2-8°C
Löslichkeit: soluble in methanol
Aggregatzustand: Powder to crystal
pka: 8.87 · 8.87±0.10(Predicted)
Farbe: Pale Yellow to Brown
Wasserlöslichkeit: slightly soluble
InChI: 1S/C8H11ClN2O/c1-2-3-4-7-10-6(5-12)8(9)11-7/h5H,2-4H2,1H3,(H,10,11)
InChIKey: JLVIHQCWASNXCK-UHFFFAOYSA-N
SMILES: CCCCc1nc(C=O)c(Cl)[nH]1
LogP: 2.5 at · 2.5 at 25℃ and pH7.1
Oberflächenspannung: 58.3 mN/m · 58.3mN/m at 1.2g/L and 20℃
CAS Datenbank: 83857 · 83857-96-9(CAS DataBase Reference)
EPA chemische Informationen: 2 · 2-Butyl-5-chloroimidazole-4-carbaldehyde (83857-96-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H317: May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Warning

H317 (97.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 04-09-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/10219

Hazard Classes and Categories · 4 Einträge

Skin Sens. 1 (97.5%)

Skin Sens. 1A (100%)

Skin sensitisation - category 1

Skin Sens. 1

Sicherheitsdaten

wgk: 2
ridadr: UN 3077 9/PG 3
hs_code: 29339900
risk_code: 43-51/53
hazard_code: Xi,N
safety_code: 24-37-61
hazard_class: IRRITANT
packing_group: III
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Aquatic Chronic 2Skin Sens. 1A

Chemie und Industrie

Anwendungen · 2 Einträge

Beschreibung2-Butyl-4-chloro-5-formylimidazole is an API intermediate used as an intermediate for the anti-hypertensive drug Chlosartan. It can be used in the chemical manufacture of many APIs and advanced intermediates. With the help of this chemical, a number of other chemicals can be manufactured that have further applications in industries such as Losartan manufacturing.

Verwenden2-Butyl-4-chloro-5-formylimidazole is used for preparation of N-(biphenylylmethyl)imidazoles as angiotensin II antagonists