1-트리틸이미다졸-4-카르복스알데히드

1-(triphenylmethyl)-1H-imidazole-4-carbaldehyde

HCID 618233CAS 33016-47-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIKey: YQYLLBSWWRWWAY-UHFFFAOYSA-N
분자식: C23H18N2O
평균 분자량: 338.4 g/mol
단동위원소 질량: 338.1419132

이름 및 식별자

우선 이름: 1-(triphenylmethyl)-1H-imidazole-4-carbaldehyde
IUPAC: 1-tritylimidazole-4-carbaldehyde
현지명: 1-트리틸이미다졸-4-카르복스알데히드
영어명: 1-Tritylimidazole-4-carboxaldehyde
분자식: C23H18N2O
분자량: 338.4

이름 및 동의어

1-(triphenylmethyl)-1H-imidazole-4-carbaldehydeRefChem:428859620-447-033016-47-61-Tritylimidazole-4-carboxaldehyde1-Trityl-1H-imidazole-4-carbaldehyde1-Trityl-1H-imidazole-4-carboxaldehyde1-tritylimidazole-4-carbaldehydeMFCD02179554N-(Triphenylmethyl)-4-imidazolecarboxaldehyde4-Formyl-1-tritylimidazole1-trityl-imidazole-4-carboxaldehyde

이름 더 보기

1-트리틸이미다졸-4-카르복스알데히드AKOS 215-50RARECHEM AN KA 00274-formyl-1-trithyl-imidazole1-Trityl-4-formyl-1H-imidazole1-Trityl-imidazol-4-carbaldehyde1-TRITYL-IMDAZOLE-4-CARBOXADEHYDE

1-(triphenylmethyl)imidazole-4-carbaldehyde4-Formyl-1-trityl-1H-imidazole1H-IMIDAZOLE-4-CARBOXALDEHYDE, 1-(TRIPHENYLMETHYL)-1-(triphenylmethyl)-4-imidazolecarboxaldehyde1-Trityl-4-formylimidazoleDexmedetomidine Impurity N1N-trityl-4-(formyl)imidazoleSCHEMBL312750

데이터베이스 식별자

CAS: 33016-47-6
PubChem CID: 618233
DTXSID: DTXSID70347131
EC Number: 620-447-0
Nikkaji: J806.978F

물성

구조 계산 물성

XLogP: 4.6
극성 표면적: 34.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 5
무거운 원자 수: 26
형식 전하: 0
복잡도: 402

물리화학적 성질

녹는점: 180 · 180-190°C
끓는 점: 502.8 · 502.8±45.0 °C(Predicted)
밀도: 1.1 · 1.10±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 아세토니트릴(약간), 메탄올(약간)에 용해됨
물리적 상태: solid
산도 계수 (pKa): 2.28 · 2.28±0.61(Predicted)
색상: 흰색에서 갈색으로
InChI: InChI=1S/C23H18N2O/c26-17-22-16-25(18-24-22)23(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H
InChIKey: YQYLLBSWWRWWAY-UHFFFAOYSA-N
SMILES: C1N(C(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=C(C=O)N=1

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (91.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 12 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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (83.3%)；Eye Irrit. 2 (91.7%)；STOT SE 3 (75%)

안전 데이터

wgk: WGK 3
HS 번호: 29332900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39-37
위험 참고 사항: Irritant
Hazard Classifications: Aquatic Chronic 4
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도1-Tritylimidazole-4-carboxaldehyde is used in the synthesis of histamine and girolline

상·하류 제품 정보

상류 원료

하류 제품

3-Morpholinone, 4-[(4-methoxyphenyl)methyl]-1-(트리페닐메틸)이미다졸 1-(1-트리틸-1H-이미다졸-4-일)-에탄올 4-benzyl-1H-imidazole

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海恩氟佳科技有限公司15800445152 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

연결된 노트

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