Tris(trimethylsilyl) phosphite

HCID 137213CAS 1795-31-9

기본 정보

표준 SMILES: C[Si](C)(C)OP(O[Si](C)(C)C)O[Si](C)(C)C
InChIKey: VMZOBROUFBEGAR-UHFFFAOYSA-N
분자식: C9H27O3PSi3
평균 분자량: 298.54 g/mol
단동위원소 질량: 298.10056094

이름 및 식별자

우선 이름: Tris(trimethylsilyl) phosphite
IUPAC: tris(trimethylsilyl) phosphite
영어명: TRIS(TRIMETHYLSILYL)PHOSPHITE
분자식: C9H27O3PSi3
분자량: 298.54

이름 및 동의어

Tris(trimethylsilyl) phosphiteSilanol, 1,1,1-trimethyl-, 1,1',1''-phosphiteRefChem:900400679-684-31795-31-9TRIS(TRIMETHYLSILYL)PHOSPHITEtritrimethylsilyl phosphitePhosphorous Acid Tris(trimethylsilyl) EsterSilanol, trimethyl-, phosphite (3:1)MFCD00015588Trimethylsilanol phosphitePhosphorous acid tris(trimethylsilyl)ester

이름 더 보기

TMSPiDK60493412-5MLris(trimethylsilyl)phosphiteTris(trimethylsiloxy)phosphineTris(trimethylsilyl)Phosphite>

S13860C9H27O3PSi3tris-trimethylsilylphosphiteTris(trimethylsily)phosphiteSCHEMBL269960DTXSID70170820GEO-02592AKOS015856795

데이터베이스 식별자

CAS: 1795-31-9
PubChem CID: 137213
DTXSID: DTXSID70170820
EC Number: 679-684-3
Nikkaji: J128.132A

물성

구조 계산 물성

극성 표면적: 27.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 6
무거운 원자 수: 16
형식 전하: 0
복잡도: 179

물리화학적 성질

끓는 점: 78 · 78-81 °C/8 mmHg (lit.)
밀도: 0.893 g/mL · 0.893 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.409(lit.)
인화점: 230 °F · >230 °F
저장 조건: RT, stored under nitrogen
물리적 상태: 액체
Specific Gravity: 0.893 · 0.893
색상: 무색의
수용성: 물에 거의 용해되지 않습니다.
BRN: 2043814 · 2043814
InChI: InChI=1S/C9H27O3PSi3/c1-14(2,3)10-13(11-15(4,5)6)12-16(7,8)9/h1-9H3
InChIKey: VMZOBROUFBEGAR-UHFFFAOYSA-N
SMILES: [Si](C)(C)(OP(O[Si](C)(C)C)O[Si](C)(C)C)C

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (95.7%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 15-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/33063

Hazard Classes and CategoriesSkin Irrit. 2 (95.7%)

안전 데이터

wgk: 3
tsca: No
ridadr: 1760
HS 번호: 29319000
risk_code: 36/38
hazard_code: Xi
safety_code: 26-36
포장분류: III
위험 등급: 8
F 고인화성물질: 10-21

화학 및 산업

응용 분야 · 1건

용도Tris(trimethylsilyl) Phosphite is used in the studies of bisphosphonic acids as effective inhibitor of glutamine synthetase, a promising approach for the discovery of novel drugs against tuberculosis. It also acts as a reagent in the preparation of substituted calix[4]arenes bearing one or two α-hydroxymethylphosphonic acid fragments at upper rim of macrocycle as inhibitors of glutathione S-transferase in vitro.

제조 방법 · 1건

By silylation of anhydrous phosphorous acid (dried by repeated azeotropic evaporation of a solution in THF with dry benzene) with excess Chlorotrimethylsilane and excess Triethylamine in dimethoxyethane, toluene, or Et2O-THF, followed by evaporation of the solvent and vacuum distillation of the residue. The residue, which contains a mixture of tris(trimethylsilyl) phosphite and bis(trimethylsilyl) phosphonate [HP(O)(OTMS)2], can also be heated with sodium (140 °C, 13-22 h), followed by vacuum distillation to obtain pure tris(trimethylsilyl) phosphite.