Diethyl (trichloromethyl)phosphonate
기본 정보
- CAS
866-23-9- 표준 SMILES
CCOP(=O)(OCC)C(Cl)(Cl)Cl- InChIKey
RVAQSYWDOSHWGP-UHFFFAOYSA-N- 분자식
- C5.H10.Cl3.O3.P
- 평균 분자량
- 255.5 g/mol
- 단동위원소 질량
- 253.94331385
이름 및 식별자
- 우선 이름
- Diethyl (trichloromethyl)phosphonate
- IUPAC
- 1-[ethoxy(trichloromethyl)phosphoryl]oxyethane
- 영어명
- Diethyl (trichloromethyl)phosphonate
- 분자식
- C5H10Cl3O3P
- 분자량
- 255.46
이름 및 동의어
Diethyl (trichloromethyl)phosphonateRefChem:587041622-785-4866-23-9Diethyl trichloromethylphosphonateDiethyltrichloromethylphosphonate1-[ethoxy(trichloromethyl)phosphoryl]oxyethaneRo 3-0658MFCD00013666Phosphonic acid, trichloromethyl-, diethyl esterPhosphonic acid, (trichloromethyl)-, diethyl esterAI3-18556
이름 더 보기
Ro-30658TIMTEC-BB SBB008195diethyl trichloromethanephosphonateTrichloromethylphosphonic acid diethylDiethyl (trichloromethyl)phosphonate 97%(Trichloromethyl)phosphonic acid diethylDiethyl (Trichloromethyl)phosphonate >trichloromethyl-phosphonicacidiethylesterDIETHYL (TRICHLOROMETHYL)PHOSPHONATE, 97 %
WLN: GXGGPO&O2&O2(Trichloromethyl)phosphonic Acid Diethyl EsterNSC-46567CS-0151420EN300-7867510NSC 46567BRN 1210640C5H10Cl3O3P
데이터베이스 식별자
- CAS
866-23-9- PubChem CID
- 70085
- DTXSID
DTXSID50235688- UNII
- LKC8DWP2F4
- EC Number
- 622-785-4
- Nikkaji
- J7.147A
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 35.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 169
실험 및 물리화학적 성질
SpringerMaterials PropertiesViscosity
Density1.362 @25 °C
물리화학적 성질
- 끓는 점
- 130 · 130-131 °C/14 mmHg (lit.)
- 밀도
- 1.362 g/mL · 1.362 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.463(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 2 · 2-8°C
- 물리적 상태
- 액체
- 색상
- 무색 내지 거의 무색
- 수용성
- 4.5 g/L · 4.5g/L(25℃)
- BRN
- 1210640 · 1210640
- InChI
- InChI=1S/C5H10Cl3O3P/c1-3-10-12(9,11-4-2)5(6,7)8/h3-4H2,1-2H3
- InChIKey
- RVAQSYWDOSHWGP-UHFFFAOYSA-N
- SMILES
- P(C(Cl)(Cl)Cl)(=O)(OCC)OCC
화학적 성질
Colorless to Almost colorless clear liquid.
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (11.1%)
안전 및 보호
Protective Action Criteria (PAC)
2.4 [mg/m3]
26 [mg/m3]
160 [mg/m3]
안전 데이터
- wgk
- 3
- rtecs
- TA0988000
- ridadr
- UN3278
- HS 번호
- 29319000
- risk_code
- 36/37/38-22
- hazard_code
- Xi
- safety_code
- 26-36-60-36/37
- 포장분류
- III
- 위험 등급
- 6.1
- F 고인화성물질
- 9-21
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
응용 분야
용도Diethyl (trichloromethyl)phosphonate may be used in the synthesis of chlorovinyl phosphonates via reaction with aldehydes and ketones.
일반 설명Addition reaction of diethyl (trichloromethyl)phosphonate to olefins by non-chain catalytic reactions catalyzed by copper amine complexes has been reported. Irradiation of diethyl (trichloromethyl)phosphonate in MeCN is reported to afford corresponding monoesters and olefins, via photochemical type II elimination reaction.
제조 방법
Diethyl trichloromethylphosphonate was also obtained from diethyltrimethylsilyl phosphite in 60 % yield, and from benzyldiethyl phosphite in the presence of dibenzoyl peroxide and an ultraviolet source in a radical induced reaction in 87 % yield (compared to 26 % without the dibenzoyl peroxide).
상·하류 제품 정보
상류 원료
관련 반응
12건
화합물 노트
불러오는 중…