Methyl 3,3,3-trifluoro-2-oxopropanoate (HCID 2734931)

이름 및 식별자

우선 이름: Methyl 3,3,3-trifluoro-2-oxopropanoate
IUPAC: methyl 3,3,3-trifluoro-2-oxopropanoate
영어명: Methyl trifluoropyruvate
분자식: C4H3F3O3
분자량: 156.06

이름 및 동의어

methyl 3,3,3-trifluoro-2-oxopropanoateRefChem:814622629-146-9Methyl Trifluoropyruvate13089-11-7Methyl 3,3,3-trifluoropyruvateTrifluoropyruvic Acid Methyl EsterPropanoic acid, 3,3,3-trifluoro-2-oxo-, methyl esterMFCD00114936METHYL 2-OXO-3,3,3-TRIFLUOROPROPANOATEmethyltrifluoropyruvatemethyl 3,3,3-trifluoro-2-oxo-propanoate

이름 더 보기

3,3,3-trifLuoropyruvateRARECHEM AL BF 1300Methyl 3,3,3-trifluoropMethyl trifluoroacetonateMethyltrifluoropyruvate97%Methyl trifluoropyruvate 97%3,3,3-Trifluoropyruvic acid met

Methyl trifluoropalmitateSCHEMBL486217methyl-3,3,3-trifluoropyruvateDTXSID30370581FD2023SBB087105AKOS005063372CS-W002382

데이터베이스 식별자

CAS: 13089-11-7
PubChem CID: 2734931
DTXSID: DTXSID30370581
EC Number: 629-146-9
Nikkaji: J772.797F

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 43.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 160

물리화학적 성질

끓는 점: 86 °C · 86 °C(lit.)
밀도: 1.529 g/mL · 1.529 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.332(lit.)
인화점: 80 °F · 80 °F
저장 조건: -20 °C · Sealed in dry,Store in freezer, under -20°C
물리적 상태: 액체
Specific Gravity: 1.528 · 1.528
색상: 무색투명~연황색
BRN: 1863490 · 1863490
InChI: InChI=1S/C4H3F3O3/c1-10-3(9)2(8)4(5,6)7/h1H3
InChIKey: XGLLQDIWQRQROJ-UHFFFAOYSA-N
SMILES: C(OC)(=O)C(=O)C(F)(F)F

화학적 성질

clear colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H226 (97.9%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (14.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (14.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (12.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 6 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 CategoriesFlam. Liq. 3 (97.9%)；Skin Irrit. 2 (14.6%)；Eye Irrit. 2A (14.6%)；STOT SE 3 (12.5%)

안전 데이터

wgk: 3
ridadr: UN 1993 3/PG 3
HS 번호: 29183000
risk_code: 10
hazard_code: C,F,Xi
safety_code: 45-36/37/39-26-16-24/25
포장분류: III
위험 등급: 3
위험 참고 사항: Flammable
Hazard Classifications: Flam. Liq. 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 2건

용도Methyl 3,3,3-trifluoropyruvate may be used in the synthesis of:2-hydroxy-2-trifluoromethylbutan-4-olides2-(trifluoromethyl)butan-4-olides4-trifluoromethyl-(2H)-pyridazin-3-onesmethyl 3-methoxy-2-trifluoromethylacrylate

일반 설명Methyl 3,3,3-trifluoropyruvate is an alkyl 3,3,3-trifluoropyruvate that can be synthesized using hexafluoropropene-1,2-oxide (HFPO) as a starting material. It reacts with aromatic amines, benzylic manoamines and diamines to form the corresponding hemiaminals.