Diethyl 4-chlorobenzylphosphonate

HCID 99240CAS 39225-17-7

기본 정보

표준 SMILES: CCOP(=O)(Cc1ccc(Cl)cc1)OCC
InChIKey: BVQPVBZRJSFOEZ-UHFFFAOYSA-N
분자식: C11H16ClO3P
평균 분자량: 262.67 g/mol
단동위원소 질량: 262.05255868

이름 및 식별자

우선 이름: Diethyl 4-chlorobenzylphosphonate
IUPAC: 1-chloro-4-(diethoxyphosphorylmethyl)benzene
영어명: Diethyl 4-chlorobenzylphosphonate
분자식: C11H16ClO3P
분자량: 262.67

이름 및 동의어

Diethyl 4-chlorobenzylphosphonate1-chloro-4-(diethoxyphosphorylmethyl)benzene0HV6QW8F6XNSC-202843EINECS 254-365-8DTXSID70192486NSC 202843DIETHYL (P-CHLOROBENZYL)PHOSPHONATERefChem:587168DTXCID80114977254-365-839225-17-7

이름 더 보기

DIETHYL 4-CHLOROBENZYLPHOSPHATEDIETHYL-(4-CHLORBENZYL)-PHOSPHONATDiethyl(4-Chlorobenzyl)phosphonate>Diethyl4-chlorobenzylphosphonate,98+%p-(Chlorobenzyl)phosphonic acid diethyl ester(4-CHLOROBENZYL)PHOSPHONIC ACID DIETHYL ESTERDiethyl P-[(4-chlorophenyl)methyl]phosphonate

Diethyl (4-Chlorobenzyl)phosphonatediethyl [(4-chlorophenyl)methyl]phosphonateMFCD00051568SCHEMBL917064Phosphonic acid, [(4-chlorophenyl)methyl]-, diethyl esterNSC202843AKOS0158503094-chlorobenzyl-phosphonic acid diethyl ester

데이터베이스 식별자

CAS: 39225-17-7
PubChem CID: 99240
DTXSID: DTXSID70192486
UNII: 0HV6QW8F6X
EC Number: 254-365-8
Nikkaji: J106.022H

물성

구조 계산 물성

XLogP: 2.3
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: 229

물리화학적 성질

끓는 점: 162 °C · 162 °C(lit.)
밀도: 1.19 g/mL · 1.19 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.509(lit.)
인화점: 230 °F · 230 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 액체
색상: 무색의
BRN: 1346690 · 1346690
InChI: 1S/C11H16ClO3P/c1-3-14-16(13,15-4-2)9-10-5-7-11(12)8-6-10/h5-8H,3-4,9H2,1-2H3
InChIKey: BVQPVBZRJSFOEZ-UHFFFAOYSA-N
SMILES: CCOP(=O)(Cc1ccc(Cl)cc1)OCC

화학적 성질

clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 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: 29319000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26
스토리지 클래스: 12 - Non Combustible Liquids

화학 및 산업

응용 분야 · 1건

용도Reactant for:Preparation of chromenone and chromene derivatives as anti-picornavirus capsid-bindersPreparation of wide band gap monomers and silafluorene copolymers with blue electroluminescence, as emitter layer in organic LEDsAsymmetric synthesis of gamma-nitrophosphonates via Michael addition with nitroalkenesWittig-Horner reactions