디에틸3-브로모벤질포스포네이트

Diethyl 3-Bromobenzylphosphonate

HCID 10979718

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 128833-03-4
표준 SMILES: CCOP(=O)(Cc1cccc(Br)c1)OCC
InChIKey: KVNNRCDDRDXWIW-UHFFFAOYSA-N
분자식: C11H16BrO3P
평균 분자량: 307.12 g/mol

이름 및 식별자

우선 이름: Diethyl 3-Bromobenzylphosphonate
IUPAC: 1-bromo-3-(diethoxyphosphorylmethyl)benzene
현지명: 디에틸3-브로모벤질포스포네이트
영어명: Diethyl 3-bromobenzylphosphonate
분자식: C11H16BrO3P
분자량: 307.12

이름 및 동의어

Diethyl 3-Bromobenzylphosphonate128833-03-41-bromo-3-(diethoxyphosphorylmethyl)benzeneMFCD07772009calcium-l-lactate hydratePhosphonic acid, P-[(3-bromophenyl)methyl]-, diethyl esterdiethyl [(3-bromophenyl)methyl]phosphonateDiethyl (3-bromobenzyl)phosphonateDiethyl m-bromobenzylphosphonateDiethyl3-BromobeDiethyl3-BromobenzylphosphonateSCHEMBL1307260

이름 더 보기

디에틸3-브로모벤질포스포네이트Diethyl 3-bromobenzylphosphonate 97%Diethyl P-[(3-bromophenyl)methyl]phosphonate[(3-Bromophenyl)methyl]phosphonic acid diethyl esterPhosphonic acid, [(3-broMophenyl)Methyl]-, diethyl ester

SCHEMBL29426944KVNNRCDDRDXWIW-UHFFFAOYSA-NAC3665AKOS005068247Diethyl 3-bromobenzylphosphonate, 97%AS-70718Diethyl[(3-bromophenyl)methyl]phosphonateSY021229

데이터베이스 식별자

CAS: 128833-03-4
PubChem CID: 10979718
EC Number: 802-998-0
Nikkaji: J3.796.689D

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 35.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 6
무거운 원자 수: 16
형식 전하: 0
복잡도: 237

물리화학적 성질

끓는 점: 376 · 376.0±25.0 °C(Predicted)
밀도: 1.343 g/mL · 1.343 g/mL at 25 °C
굴절률: 20 · n20/D1.523
인화점: 110 ℃ · >110℃
저장 조건: Sealed in dry,Room Temperature
물리적 상태: liquid
InChI: 1S/C11H16BrO3P/c1-3-14-16(13,15-4-2)9-10-6-5-7-11(12)8-10/h5-8H,3-4,9H2,1-2H3
InChIKey: KVNNRCDDRDXWIW-UHFFFAOYSA-N
SMILES: CCOP(=O)(Cc1cccc(Br)c1)OCC