Phosphonic acid, P-(chloromethyl)-, diethyl ester

HCID 76633CAS 3167-63-3

기본 정보

표준 SMILES: CCOP(=O)(CCl)OCC
InChIKey: MZBIWKMCTWJLPT-UHFFFAOYSA-N
분자식: C5H12ClO3P
평균 분자량: 186.57 g/mol
단동위원소 질량: 186.0212589

이름 및 식별자

우선 이름: Phosphonic acid, P-(chloromethyl)-, diethyl ester
IUPAC: 1-[chloromethyl(ethoxy)phosphoryl]oxyethane
영어명: Diethyl (chloromethyl)phosphonate
분자식: C5H12ClO3P
분자량: 186.57

이름 및 동의어

Diethyl (chloromethyl)phosphonateDiethyl chloromethanephosphonateChloromethylphosphonic acid diethyl esterAI3-51203EINECS 221-632-5NSC 67753Phosphonic acid, P-(chloromethyl)-, diethyl esterRefChem:862214221-632-53167-63-3Diethyl chloromethylphosphonatePhosphonic acid, (chloromethyl)-, diethyl ester

이름 더 보기

Diethyl (chloromethyl)[DIETHYL-(CHLORMETHYL)]-PHOSPHONATDiethyl chloromethylphosphonate 97%Diethyl P-(chloromethyl)phosphonateDiethyl (Chloromethyl)phosphonate >Diethyl (chloromethyl)phosphonate,98%Diethyl(chloromethyl)phosphonate, 97 %(chloromethyl)-phosphonicacidiethylester

1-[chloromethyl(ethoxy)phosphoryl]oxyethaneMFCD00010189(Chloromethyl)phosphonic acid diethyl esterPhosphonic acid P -(chloromethyl)-diethyl esterNSC-67753Diethyl(chloromethyl)phosphonateC5H12ClO3Pdiethylchloromethylphosphonate

데이터베이스 식별자

CAS: 3167-63-3
PubChem CID: 76633
DTXSID: DTXSID1062883
UNII: H3LYK2K3U6
EC Number: 221-632-5
Nikkaji: J117.030I

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 35.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 5
무거운 원자 수: 10
형식 전하: 0
복잡도: 118

물리화학적 성질

끓는 점: 109 · 109-110 °C10 mm Hg(lit.)
밀도: 1.2 g/mL · 1.2 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.437(lit.)
인화점: 188 °F · 188 °F
저장 조건: 2 · 2-8°C
용해도: sol THF, ether, dichloromethane, chloroform
물리적 상태: 액체
Specific Gravity: 1.2 · 1.2
색상: 무색투명~연황색
BRN: 1363361 · 1363361
InChI: 1S/C5H12ClO3P/c1-3-8-10(7,5-6)9-4-2/h3-5H2,1-2H3
InChIKey: MZBIWKMCTWJLPT-UHFFFAOYSA-N
SMILES: CCOP(=O)(CCl)OCC
EPA: Phosphonic acid, (chloromethyl)-, diethyl ester (3167-63-3)

화학적 성질

Clear colorless to light yellow liquid

안전 및 규제

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29319090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 1건

용도Reactant involved in:Subsequent alkylation after nucleophilic substitutionOne-pot alkylation-boration of α-haloalkylphosphonatesSynthesis of cyclpentane and pyrrolidine derivatives via regioselective insertion reactionsPhosphorylation leading to P-containing cyclopropanesWadsworth-Emmons reactionsRing expansion of zircnacycles via carbenoid insertion