Trimethyl phosphonoacetate (HCID 80029)

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 Å²
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

clear colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

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 · 2건

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 · 1건

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.