Diethyl P-((4-methylphenyl)methyl)phosphonate

HCID 3050CAS 3762-25-2

기본 정보

표준 SMILES: CCOP(=O)(Cc1ccc(C)cc1)OCC
InChIKey: QKGBKPZAXXBLJE-UHFFFAOYSA-N
분자식: C12H19O3P
평균 분자량: 242.25 g/mol
단동위원소 질량: 242.1071811

이름 및 식별자

우선 이름: Diethyl P-((4-methylphenyl)methyl)phosphonate
IUPAC: 1-(diethoxyphosphorylmethyl)-4-methylbenzene
영어명: DIETHYL 4-METHYLBENZYLPHOSPHONATE
분자식: C12H19O3P
분자량: 242.25

이름 및 동의어

diethyl 4-methylbenzylphosphonate3762-25-2Diethyl (4-methylbenzyl)phosphonateKR7824QXJ2DTXSID30191056diethyl [(4-methylphenyl)methyl]phosphonateDIETHYL ((4-METHYLPHENYL)METHYL)PHOSPHONATEdiethyl 4-MBzPRefChem:587170DTXCID40113547Diethyl P-((4-methylphenyl)methyl)phosphonate223-180-4

이름 더 보기

LABOTEST-BB LT01148271Diethyl p-tolylmethylphosphonatediethyl-(4-methylbenzyl)phosphonatDIETHYL (P-METHYLBENZYL)PHOSPHONATEDiethyl(4-Methylbenzyl)phosphonate>Diethyl-4-methylbenzylphosphonate 97%Diethyl 4-methylbenzylphosphonate, 98+%4-methylphenylphosphoric acidiethyl ester

MFCD000413851-(diethoxyphosphorylmethyl)-4-methylbenzene(4-Methylbenzyl)phosphonic Acid Diethyl Ester1qw7EINECS 223-180-4STL220386Diethyl-4-methylbenzylphosphonate, 97%SY048619

데이터베이스 식별자

CAS: 3762-25-2
PubChem CID: 3050
DTXSID: DTXSID30191056
UNII: KR7824QXJ2
EC Number: 223-180-4
Nikkaji: J106.023F

물성

구조 계산 물성

XLogP: 2.1
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: 224

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

물리화학적 성질

끓는 점: 110 °C/0.2 · 110 °C/0.2 mmHg (lit.)
밀도: 1.07 g/mL · 1.07 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.497(lit.)
인화점: 230 °F · 230 °F
저장 조건: 2 · Storage temp. 2-8°C
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
BRN: 2940626 · 2940626
InChI: InChI=1S/C12H19O3P/c1-4-14-16(13,15-5-2)10-12-8-6-11(3)7-9-12/h6-9H,4-5,10H2,1-3H3
InChIKey: QKGBKPZAXXBLJE-UHFFFAOYSA-N
SMILES: P(CC1=CC=C(C)C=C1)(=O)(OCC)OCC

화학적 성질

clear colorless liquid

안전 및 규제

안전 데이터

wgk: 3
HS 번호: 29319000
risk_code: 36/37/38
safety_code: 24/25
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 1건

용도Reactant involved in:Synthesis of stilbenes via oxidation and Horner-Emmons reactionsIntramolecular cyclization of aryl ethers, amines, and amidesStudies of the effects of functional groups on the performance of blue organic LEDsOlefination reactionsPreparation of antimalarial agents

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Aladdin Scientific[email protected]

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