Diethyl phosphonomethanol
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기본 정보
- CAS
3084-40-0- 표준 SMILES
CCOP(=O)(CO)OCC- InChIKey
RWIGWWBLTJLKMK-UHFFFAOYSA-N- 분자식
- C5H13O4P
- 평균 분자량
- 168.13 g/mol
- 단동위원소 질량
- 168.05514553
이름 및 식별자
- 우선 이름
- Diethyl phosphonomethanol
- IUPAC
- diethoxyphosphorylmethanol
- 영어명
- Diethyl (hydroxymethyl)phosphonate
- 분자식
- C5H13O4P
- 분자량
- 168.13
이름 및 동의어
Diethyl (hydroxymethyl)phosphonate3084-40-0diethoxyphosphorylmethanolDiethyl phosphonomethanolPhosphonic acid, (hydroxymethyl)-, diethyl ester(Hydroxymethyl)phosphonic acid, diethyl esterPhosphonic acid, P-(hydroxymethyl)-, diethyl esterNR74SN9XT3EINECS 221-391-6DTXSID6062838diethyl P-(hydroxymethyl)phosphonateRefChem:587276
이름 더 보기
midbodyAURORA KA-1421intermediateobjectDIETHYL HYDROXYMETHYLTenofovir Impurity 83Diethyl PhosphonometanolDiethyl hydroxymethyl phosphate
DTXCID9038268221-391-6Diethyl hydroxymethylphosphonateDiethyl(hydroxymethyl)phosphonate(Hydroxymethyl)phosphonic Acid Diethyl EsterC5H13O4PMFCD00014418Tenofovir Impurity 62
데이터베이스 식별자
- CAS
3084-40-0- PubChem CID
- 76513
- DTXSID
DTXSID6062838- UNII
- NR74SN9XT3
- EC Number
- 221-391-6
- Nikkaji
- J217.247J
물성
구조 계산 물성보충 중
- XLogP
- -0.4
- 극성 표면적
- 55.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 115
실험 및 물리화학적 성질
Physical DescriptionLiquid
물리화학적 성질
- 끓는 점
- 124 · 124-126 °C/3 mmHg (lit.)
- 밀도
- 1.14 g/mL · 1.14 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.444(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 물리적 상태
- 점성 액체
- 산도 계수 (pKa)
- 13 · 13.00±0.10(Predicted)
- 색상
- 무색~황색으로 투명함
- 수용성
- 500 g/L · 500g/L at 20℃
- InChI
- InChI=1S/C5H13O4P/c1-3-8-10(7,5-6)9-4-2/h6H,3-5H2,1-2H3
- InChIKey
- RWIGWWBLTJLKMK-UHFFFAOYSA-N
- SMILES
- P(CO)(=O)(OCC)OCC
- NIST
- Diethyl hydroxymethylphosphonate(3084-40-0)
- EPA
- Phosphonic acid, (hydroxymethyl)-, diethyl ester (3084-40-0)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 82.7% (43 of 52) of all reports.
Warning
H315 (15.4%): 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 52 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Phosphonic acid, P-(hydroxymethyl)-, diethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphonic acid, P-(hydroxymethyl)-, diethyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 27-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32469
Hazard Classes and CategoriesSkin Irrit. 2 (15.4%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29319090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 37/39-26-36-37
- 스토리지 클래스
- 12 - Non Combustible Liquids
화학 및 산업
용도 및 제조
U.S. Production2023: 50,000 - <250,000 lb
Industry UsesFlame retardant
General Manufacturing Information
Asphalt Paving, Roofing, and Coating Materials Manufacturing
Phosphonic acid, P-(hydroxymethyl)-, diethyl ester: ACTIVE
응용 분야
용도Diethyl hydroxymethylphosphonate acts as a reactant for synthesis of α And β-dialkoxyphosphoryl isothiocyanate used in antiproliferative studies, dendritic polyglycerol anions for L-selectin inhibition, phosphonates for anti-HIV-1 activity, homo and copolymers of phosphonated norbornenes, Mitsunobu reactions. It is involved in studies of FBPase inhibition by phosphonic acid-containing thaizoles.
상·하류 제품 정보
상류 원료
관련 반응
77건
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