메틸2-(트리플루오로메틸)-3,3,3-트리플루오로프로피온산

Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate

HCID 9673CAS 360-54-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)C(C(F)(F)F)C(F)(F)F
InChIKey: JGGBVFLRNNDHCM-UHFFFAOYSA-N
분자식: C5H4F6O2
평균 분자량: 210.07 g/mol
단동위원소 질량: 210.01154834

이름 및 식별자

우선 이름: Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate
IUPAC: methyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate
현지명: 메틸2-(트리플루오로메틸)-3,3,3-트리플루오로프로피온산
영어명: METHYL 2-(TRIFLUOROMETHYL)-3,3,3-TRIFLUOROPROPIONATE
분자식: C5H4F6O2
분자량: 210.07

이름 및 동의어

Methyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoatemethyl 2-(trifluoromethyl)-3,3,3-trifluoropropionateRefChem:813786808-139-6360-54-3Propanoic acid, 3,3,3-trifluoro-2-(trifluoromethyl)-, methyl esterMethyl 3,3,3-trifluoro-2-(trifluoromethyl)propionateMethyl hexafluoroisobutyrateMFCD00054663ISOBUTYRIC ACID, HEXAFLUORO-, METHYL ESTERBRN 1787515methyl 2-(trifluoromethyl)-3,3,3-trifluoropropanoate

이름 더 보기

메틸2-(트리플루오로메틸)-3,3,3-트리플루오로프로피온산methylhexafluoroisobutyratehexafluoro-isobutyricacimethylester2-(Methoxycarbonyl)-2H-perfluoropropaneMethyl2H-hexafluoro-2-methylpropanoate98%Methyl 2H-perfluoro-2-methylpropanoate 98%Methyl 2-(trifluoromethyl)-3,3,3-trifluoro-Methyl 2H-hexafluoro-2-methylpropanoate 98%

Methyl 2H-hexafluoro-2-methylpropanoate4-02-00-00856 (Beilstein Handbook Reference)SCHEMBL3140450DTXSID0073168Methyl bis(trifluoromethyl)acetateSBB094286AKOS016015328Methyl 2,2-Bis(trifluoromethyl)acetate

데이터베이스 식별자

CAS: 360-54-3
PubChem CID: 9673
DTXSID: DTXSID0073168
EC Number: 808-139-6
Nikkaji: J26.245E

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 8
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 178

물리화학적 성질

끓는 점: 90 · 90-91°C
밀도: 1.604 · 1.604
굴절률: 1.269 · 1.269
인화점: 60 °C · 60°C
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
EPA: 3 · Propanoic acid, 3,3,3-trifluoro-2-(trifluoromethyl)-, methyl ester (360-54-3)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P316, P302+P352, P303+P361+P353, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 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.