디에틸 2-(브로모에틸)포스폰산염

Diethyl (2-bromoethyl)phosphonate

HCID 79218CAS 5324-30-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOP(=O)(CCBr)OCC
InChIKey: PINITSMLVXAASM-UHFFFAOYSA-N
분자식: C6H14BrO3P
평균 분자량: 245.05 g/mol
단동위원소 질량: 243.98639304

이름 및 식별자

우선 이름: Diethyl (2-bromoethyl)phosphonate
IUPAC: 1-bromo-2-diethoxyphosphorylethane
현지명: 디에틸 2-(브로모에틸)포스폰산염
영어명: DIETHYL 2-BROMOETHYLPHOSPHONATE
분자식: C6H14BrO3P
분자량: 245.05

이름 및 동의어

5324-30-1Diethyl (2-bromoethyl)phosphonateEINECS 226-193-3DTXSID00201333NSC 2672NSC 119421RefChem:587005DTXCID00123824226-193-3Diethyl 2-bromoethylphosphonate1-bromo-2-diethoxyphosphorylethane(2-Bromoethyl)phosphonic acid diethyl ester

이름 더 보기

디에틸2-(브로모에틸)포스폰산염디에틸2-(브로모에틸)포스폰산염(DIETHYL2-(BROMOETHYL)PHOSPHONATE)DIETHYL 2-BROMOETHYLPHOSPHOTEDIETHYL 2-BROMOETHANEPHOSPHONATEDiethyl2-bromoethylphosphonate,97%Diethyl 2-Bromoethylphosphonate >Diethyl P-(2-bromoethyl)phosphonate

MFCD00000239Phosphonic acid, (2-bromoethyl)-, diethyl ester2-Bromoethylphosphonic Acid Diethyl EsterO,O-Diethyl (2-bromoethyl)phosphonatediethyl bromoethylphosphonateNSC119421NSC-119421diethyl(2-bromoethyl)phosphonate

데이터베이스 식별자

CAS: 5324-30-1
PubChem CID: 79218
DTXSID: DTXSID00201333
EC Number: 226-193-3
Nikkaji: J236.439E

물성

구조 계산 물성

XLogP: 1
극성 표면적: 35.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 6
무거운 원자 수: 11
형식 전하: 0
복잡도: 130

물리화학적 성질

끓는 점: 75 °C/1 · 75 °C/1 mmHg (lit.)
밀도: 1.348 g/mL · 1.348 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.461(lit.)
인화점: 230 °F · >230 °F
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 액체
Specific Gravity: 1.2751 · 1.2751.348
색상: 무색투명~미황색
수용성: 물에 용해됨(20g/L)(25°C).
BRN: 1766077 · 1766077
InChI: InChI=1S/C6H14BrO3P/c1-3-9-11(8,6-5-7)10-4-2/h3-6H2,1-2H3
InChIKey: PINITSMLVXAASM-UHFFFAOYSA-N
SMILES: P(CCBr)(=O)(OCC)OCC

화학적 성질

clear colorless to slightly yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29319090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 23-24/25
기존화학 물질: KE-10440
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 1건

용도It is employed as a reactant involved in radical coupling, synthesis of organosoluble zirconium phosphonate nanocomposites, click-chemistry, asymmetric epoxidation of unfunctionalized olefins, Negishi alkyl-aryl cross-coupling, and in synthesis of hydrolytically stable phosphonic acids for use as dental adhesives.