이소프로필4,4,4-트리플루오로아세토아세테이트

Isopropyl 4,4,4-Trifluoroacetoacetate

HCID 586897

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 175230-50-9
표준 SMILES: CC(C)OC(=O)CC(=O)C(F)(F)F
InChIKey: XLBGYZLICFMDDS-UHFFFAOYSA-N
분자식: C7H9F3O3
평균 분자량: 198.14 g/mol
단동위원소 질량: 198.05037863

이름 및 식별자

우선 이름: Isopropyl 4,4,4-Trifluoroacetoacetate
IUPAC: propan-2-yl 4,4,4-trifluoro-3-oxobutanoate
현지명: 이소프로필4,4,4-트리플루오로아세토아세테이트
영어명: Isopropyl 4,4,4-trifluoroacetoacetate
분자식: C7H9F3O3
분자량: 198.14

이름 및 동의어

Isopropyl 4,4,4-Trifluoroacetoacetate175230-50-9DTXSID00343045RefChem:349812DTXCID60294125681-391-0Isopropyl 4,4,4-trifluoro-3-oxobutanoatepropan-2-yl 4,4,4-trifluoro-3-oxobutanoateButanoic acid, 4,4,4-trifluoro-3-oxo-, 1-methylethyl esterMFCD000409904,4,4-Trifluoroacetoacetic Acid Isopropyl EsterIsopropyl 4,4,4-trifluoro-3-oxobutyrate

이름 더 보기

이소프로필4,4,4-트리플루오로아세토아세테이트Isopropyl 4,4,4-TrifluoroacetISOPROPYL TRIFLUOROACETOACETATEIsopropyl4,4,4-trifluoroacetoacetate97%Isopropyl 3-oxo-4,4,4-trifluorobutyrateIsopropyl 4,4,4-trifluoroacetoacetate 97%4,4,4-TRIFLUORO-3-OXOBUTANOIC ACID 2-PROPYL ESTER4,4,4-trifluoro-3-oxobutanoic acid propan-2-yl ester

isopropyl-4,4,4-trifluoroacetoacetateSCHEMBL196660SBB092260AKOS006228571Isopropyl4,4,4-trifluoro-3-oxobutanoateBS-21756SY050229DB-297688

데이터베이스 식별자

CAS: 175230-50-9
PubChem CID: 586897
DTXSID: DTXSID00343045
EC Number: 681-391-0
Nikkaji: J1.388.172C

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 43.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 4
무거운 원자 수: 13
형식 전하: 0
복잡도: 208

물리화학적 성질

끓는 점: 42 °C · 42°C 28mm
밀도: 1.2 · 1.20
굴절률: 1.3891 · 1.3891
인화점: 42 °C/28mm · 42°C/28mm
산도 계수 (pKa): 8.54 · 8.54±0.10(Predicted)
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
BRN: 7475563 · 7475563

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H226 (20%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (80%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (80%): 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 5 reports by companies from 2 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.