Trimethyl phosphonoacetate
기본 정보
- CAS
5927-18-4- 표준 SMILES
COC(=O)CP(=O)(OC)OC- InChIKey
SIGOIUCRXKUEIG-UHFFFAOYSA-N- 분자식
- C5H11O5P
- 평균 분자량
- 182.11 g/mol
- 단동위원소 질량
- 182.03441008
개요
Trimethyl phosphonoacetate is a phosphonic ester.
이름 및 식별자
- 우선 이름
- Trimethyl phosphonoacetate
- IUPAC
- methyl 2-dimethoxyphosphorylacetate
- 영어명
- Trimethyl phosphonoacetate
- 분자식
- C5H11O5P
- 분자량
- 182.11
이름 및 동의어
Trimethyl phosphonoacetate5927-18-4methyl 2-dimethoxyphosphorylacetateTrimethylacetyl phosphateAcetic acid, (dimethoxyphosphinyl)-, methyl esterDTXSID3064063RefChem:899798DTXCID5042588227-663-0Methyl 2-(dimethoxyphosphoryl)acetateTrimethyl phosphonacetateMFCD00008452
이름 더 보기
TMPANSC 84262TriMethyl phosphonoacetatTRIMETHYL PHOPHONOACETATETrimethylphosphoroacetateRIMETHYL PHOSPHONOACETATE
C5H11O5PPhosphonoacetic Acid Trimethyl EsterDimethylphosphonoacetic Acid Methyl EsterMethyl DimethylphosphonoacetateMethyl (dimethoxyphosphoryl)acetate(Carboxymethyl)phosphonic acid trimethyl estermethyl-(dimethoxyphosphoryl)acetatEINECS 227-663-0
데이터베이스 식별자
- CAS
5927-18-4- PubChem CID
- 80029
- DTXSID
DTXSID3064063- ChEBI
CHEBI:195100- EC Number
- 227-663-0
- Nikkaji
- J227E
물성
구조 계산 물성
- XLogP
- -0.6
- 극성 표면적
- 61.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 170
물리화학적 성질
- 녹는점
- 242 °C · 242 °C
- 끓는 점
- 118 °C0.85 · 118 °C0.85 mm Hg(lit.)
- 밀도
- 1.125 g/mL · 1.125 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.437(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 물리적 상태
- 액체
- Specific Gravity
- 1.265 · approximate 1.265ｇ/ml (20℃)
- 색상
- 무색투명~연황색
- 수용성
- 물과 약간 섞임.
- BRN
- 1865177 · 1865177
- InChI
- 1S/C5H11O5P/c1-8-5(6)4-11(7,9-2)10-3/h4H2,1-3H3
- InChIKey
- SIGOIUCRXKUEIG-UHFFFAOYSA-N
- SMILES
- COC(=O)CP(=O)(OC)OC
- LogP
- -0.68 · -0.680 (est)
- NIST
- Trimethyl phosphonoacetate(5927-18-4)
- EPA
- Acetic acid, (dimethoxyphosphinyl)-, methyl ester (5927-18-4)
화학적 성질
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 87.5% (56 of 64) of all reports.
Warning
H315 (12.5%): 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 64 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Status: Active Update: 28-08-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/10683
Acetic acid, (dimethoxyphosphinyl)-, methyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (12.5%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29310095
- safety_code
- 23-24/25
- F 고인화성물질
- 9
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
용도 및 제조
General Manufacturing InformationAcetic acid, 2-(dimethoxyphosphinyl)-, methyl ester: ACTIVE
응용 분야
용도Trimethyl phosphonoacetate is used in the preparation of sarin A by intramolecular Mannich-type reactions. It is involved in the Horner-Wadsworth-Emmons olefination with aldehydes and ketones to give acrylic esters. It is also involved in oxa-Michael reactions, prenylation of oxindoles and heterocyclization reactions.
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하류 제품
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