CAS 83857-96-9 2-Butyl-5-chloro-1H-imidazole-4-carbaldehyde (HCID 55176)

Names & identifiers

Preferred name: 2-Butyl-5-chloro-1H-imidazole-4-carbaldehyde
IUPAC: 2-butyl-5-chloro-1H-imidazole-4-carbaldehyde
English name: 2-Butyl-4-chloro-5-formylimidazole
Molecular formula: C8H11ClN2O
Molecular weight: 186.64

Names & synonyms

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]

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 45.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 12
Formal charge: 0
Complexity: 154

Physicochemical properties

Melting point: 97 · 97-100 °C(lit.)
Boiling point: 384.1 · 384.1±22.0 °C(Predicted)
Density: 1.24 · 1.240
vapor pressure: 0.001 Pa · 0.001Pa at 25℃
storage temp.: 2 · Inert atmosphere,2-8°C
solubility: soluble in methanol
pka: 8.87 · 8.87±0.10(Predicted)
form: Powder to crystal
color: Pale Yellow to Brown
Water Solubility: 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
Surface tension: 58.3 mN/m · 58.3mN/m at 1.2g/L and 20℃
CAS DataBase Reference: 83857 · 83857-96-9(CAS DataBase Reference)
EWG's Food Scores: 1 · 1-2
FDA UNII: 7 H170U0SWE · 7H170U0SWE
EPA Substance Registry System: 2 · 2-Butyl-5-chloroimidazole-4-carbaldehyde (83857-96-9)
UNSPSC Code: 41116107 · 41116107
NACRES: 24 · NA.24
Symbol(GHS): 7 · GHS07,GHS09
Signal word: Warning
Hazard statements: 317 · H317-H411
Precautionary statements: 261 · P261-P272-P273-P280-P302+P352-P333+P313
PPE: 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes: Xi,N
Risk Statements: 43 · 43-51/53
Safety Statements: 24 · 24-37-61
RIDADR: 3077 · UN 3077 9/PG 3
WGK Germany: 2 · 2
HazardClass: IRRITANT
PackingGroup: III
HS Code: 29339900 · 29339900
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Aquatic Chronic 2Skin Sens. 1A
REACH Registrations: Active
Limited Quantities: 5 kg · 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 6 items

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)

Hazard information

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

Hazard Classes and Categories · 4 items

Skin Sens. 1 (97.5%)

Skin Sens. 1A (100%)

Skin sensitisation - category 1

Skin Sens. 1

Safety data

PPE: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk: 2
ridadr: UN 3077 9/PG 3
hs_code: 29339900
risk_code: 43-51/53
Signal word: Warning
Symbol(GHS): GHS07,GHS09
hazard_code: Xi,N
safety_code: 24-37-61
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
packing_group: III
Hazard statements: H317-H411
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
REACH Registrations: Active
Hazard Classifications: Aquatic Chronic 2Skin Sens. 1A
Precautionary statements: P261-P272-P273-P280-P302+P352-P333+P313

Chemistry & industry

Applications · 3 items

Description2-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.

Uses2-Butyl-4-chloro-5-formylimidazole is used for preparation of N-(biphenylylmethyl)imidazoles as angiotensin II antagonists

Uses2-Butyl-5-chloro-1H-imidazole-4-carboxaldehyde may be used in the preparation of the following symmetrical esters of dialkyl 4-(2-butyl-5-chloro-1H-imidazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate:dimethyl 4-(2-butyl-5-chloro-1H-imidazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylatediethyl 4-(2-butyl-5-chloro-1H-imidazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylatediisopropyl 4-(2-butyl-5-chloro-1Himidazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylatediisobutyl 4-(2-butyl-5-chloro-1H-imidazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate di-tert-butyl 4-(2-butyl-5-chloro-1Himidazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylatebis(2-methoxyethyl) 4-(2-butyl-5-chloro-1Himidazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate