CAS 2356-16-3 Triethyl 2-fluoro-2-phosphonoacetate (HCID 2734865)

이름 및 식별자

우선 이름: Triethyl 2-fluoro-2-phosphonoacetate
IUPAC: ethyl 2-diethoxyphosphoryl-2-fluoroacetate
영어명: Triethyl 2-fluoro-2-phosphonoacetate
분자식: C8H16FO5P
분자량: 242.18

이름 및 동의어

Triethyl 2-fluoro-2-phosphonoacetateRefChem:899470627-648-22356-16-3ethyl 2-(diethoxyphosphoryl)-2-fluoroacetate2-Fluoro-2-phosphonoacetic Acid Triethyl Esterethyl 2-diethoxyphosphoryl-2-fluoroacetateMFCD00134400ethyl (diethoxyphosphoryl)(fluoro)acetateTriethyl phosphonofluoroacetateAcetic acid, (diethoxyphosphinyl)fluoro-, ethyl esterethyl diethylphosphonofluoroacetate

이름 더 보기

czjuoro-2-phosphonoacetateTriethyl-2-Fluoro-2-PhosphonotriethylphosphonofluoroacetateTriethyl2-Fluoro-2-phosphoacetateRIETHYL2-FLUORO-2-PHOSPHONOACETATETriethyl-2-fluoro-phosphonoacetateTriethyl α-fluoro(phosphono)acetate

triethyl-2-fluoro-2-phosphonoacetateC8H16FO5PTriethyl fluorophosphonoacetateethyl 2-(diethoxycarbonyl)-2-fluoroacetatediethyl [(ethoxycarbonyl)fluoromethyl]phosphonateTriethyl2-fluoro-2-phosphonoacetate(Diethoxyphosphinyl)fluoroacetic Acid Ethyl EsterSCHEMBL365852

데이터베이스 식별자

CAS: 2356-16-3
PubChem CID: 2734865
DTXSID: DTXSID20946330
EC Number: 627-648-2
Nikkaji: J247.275I

물성

구조 계산 물성

XLogP: 1
극성 표면적: 61.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 8
무거운 원자 수: 15
형식 전하: 0
복잡도: 235

물리화학적 성질

끓는 점: 75 °C0.01 · 75 °C0.01 mm Hg(lit.)
밀도: 1.194 g/mL · 1.194 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.425(lit.)
인화점: 165 °F · 165 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
Specific Gravity: 1.194 · 1.194
BRN: 1912161 · 1912161
InChI: InChI=1S/C8H16FO5P/c1-4-12-8(10)7(9)15(11,13-5-2)14-6-3/h7H,4-6H2,1-3H3
InChIKey: FVPISMANESAJQZ-UHFFFAOYSA-N
SMILES: C(OCC)(=O)C(P(OCC)(OCC)=O)F

화학적 성질

clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (96.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (96.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (94.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 57 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (96.5%)；Eye Irrit. 2 (96.5%)；STOT SE 3 (94.7%)

안전 데이터

wgk: 3
HS 번호: 29319090
risk_code: 36/37/38
hazard_code: Xi,F
safety_code: 26-36-37/39
위험 등급: IRRITANT, FLAMMABLE
F 고인화성물질: 10-21
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 1건

용도Reactant for: Diels-Alder reactionsBiosynthesis of terpeneStereoselective synthesis of unsaturated esters, fluorides and nitriles from the reactions of aldehydes and ketones using Wadsworth-Emmons phosphonatesSynthesis of quinolonesHorner-Wadsworth-Emmons asymmetric hydrationAddition reactions and the subsequent application to click chemistryAsymmetric intermolecular Stetter reactions