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

이름 및 식별자

우선 이름: 2-Butyl-5-chloro-1H-imidazole-4-carbaldehyde
IUPAC: 2-butyl-5-chloro-1H-imidazole-4-carbaldehyde
영어명: 2-Butyl-4-chloro-5-formylimidazole
분자식: C8H11ClN2O
분자량: 186.64

이름 및 동의어

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]

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 45.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 12
형식 전하: 0
복잡도: 154

물리화학적 성질

녹는점: 97 · 97-100 °C(lit.)
끓는 점: 384.1 · 384.1±22.0 °C(Predicted)
밀도: 1.24 · 1.240
증기압: 0.001 Pa · 0.001Pa at 25℃
저장 조건: 2 · Inert atmosphere,2-8°C
용해도: 물에 약간 용해됨
물리적 상태: Powder to crystal
산도 계수 (pKa): 8.87 · 8.87±0.10(Predicted)
색상: 연한 노란색에서 갈색까지
수용성: 약간 용해됨
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
표면장력: 58.3 mN/m · 58.3mN/m at 1.2g/L and 20℃
EPA: 2 · 2-Butyl-5-chloroimidazole-4-carbaldehyde (83857-96-9)

화학적 성질

2-Butyl-4-chloro-5-formylimidazole is Yellow Solid

안전 및 규제

GHS 분류

GHS Classification · 6건

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)

유해성 정보

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

Hazard Classes and Categories · 4건

Skin Sens. 1 (97.5%)

Skin Sens. 1A (100%)

Skin sensitisation - category 1

Skin Sens. 1

안전 데이터

wgk: 2
ridadr: UN 3077 9/PG 3
HS 번호: 29339900
risk_code: 43-51/53
hazard_code: Xi,N
safety_code: 24-37-61
포장분류: III
위험 등급: IRRITANT
Hazard Classifications: Aquatic Chronic 2Skin Sens. 1A
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

개요2-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.

용도2-Butyl-4-chloro-5-formylimidazole is used for preparation of N-(biphenylylmethyl)imidazoles as angiotensin II antagonists