디에틸(1-TRITYL-1H-IMIDAZOL-4-YL)메틸포스포네이트

diethyl ((1-(triphenylmethyl)-1H-imidazol-4-yl)methyl)phosphonate

HCID 2763175

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 473659-21-1
표준 SMILES: CCOP(=O)(Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)OCC
InChIKey: FNSMDCRPGWSMDB-UHFFFAOYSA-N
분자식: C27H29N2O3P
평균 분자량: 460.5 g/mol
단동위원소 질량: 460.19157942

이름 및 식별자

우선 이름: diethyl ((1-(triphenylmethyl)-1H-imidazol-4-yl)methyl)phosphonate
IUPAC: 4-(diethoxyphosphorylmethyl)-1-tritylimidazole
현지명: 디에틸(1-TRITYL-1H-IMIDAZOL-4-YL)메틸포스포네이트
영어명: Diethyl (1-trityl-1H-imidazol-4-yl)methylphosphonate
분자식: C27H29N2O3P
분자량: 460.5

이름 및 동의어

Diethyl {[1-(triphenylmethyl)-1H-imidazol-4-yl]methyl}phosphonatediethyl ((1-(triphenylmethyl)-1H-imidazol-4-yl)methyl)phosphonateRefChem:586971970-058-8473659-21-1Diethyl (1-trityl-1H-imidazol-4-yl)methylphosphonate4-(diethoxyphosphorylmethyl)-1-tritylimidazoleMFCD06660114Diethyl [(1-Trityl-4-imidazolyl)methyl]phosphonateDiethyl ((1-trityl-1H-imidazol-4-yl)methyl)phosphonateDiethyl [(1-trityl-1H-imidazol-4-yl)methyl]phosphonateC27H29N2O3P

이름 더 보기

디에틸(1-TRITYL-1H-IMIDAZOL-4-YL)메틸포스포네이트Phosphonic acid, P-[[1-(triphenylmethyl)-1H-imidazol-4-yl]methyl]-, diethyl ester4-[(Diethoxyphosphoryl)methyl]-1-trityl-1H-imidazole, 4-[(Diethylphosphono)methyl]-1-trityl-1H-imidazole

SCHEMBL222974DTXSID50376787FNSMDCRPGWSMDB-UHFFFAOYSA-NYTA65921AKOS015839052PS-10974SY318868CS-0308664

데이터베이스 식별자

CAS: 473659-21-1
PubChem CID: 2763175
DTXSID: DTXSID50376787
EC Number: 970-058-8
Nikkaji: J1.773.467I

물성

구조 계산 물성

XLogP: 4.6
극성 표면적: 53.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 10
무거운 원자 수: 33
형식 전하: 0
복잡도: 571

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.