메틸3,3,3-트리플루오로프로피온산

Methyl 3,3,3-trifluoropropanoate

HCID 2782392

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 18830-44-9
표준 SMILES: COC(=O)CC(F)(F)F
InChIKey: PMGBATZKLCISOD-UHFFFAOYSA-N
분자식: C4H5F3O2
평균 분자량: 142.08 g/mol
단동위원소 질량: 142.02416388

이름 및 식별자

우선 이름: Methyl 3,3,3-trifluoropropanoate
IUPAC: methyl 3,3,3-trifluoropropanoate
현지명: 메틸3,3,3-트리플루오로프로피온산
영어명: Methyl 3,3,3-trifluoropropionate
분자식: C4H5F3O2
분자량: 142.08

이름 및 동의어

18830-44-9Methyl 3,3,3-trifluoropropanoateDTXSID70382062RefChem:354492DTXCID00333087689-101-4Methyl 3,3,3-trifluoropropionateMFCD02262206Propanoic acid, 3,3,3-trifluoro-, methyl estermethyl trifluoropropionateAKOS009159232BS-16372

이름 더 보기

메틸3,3,3-트리플루오로프로피온산METHYL 3,3,3-TRIFLUOROPRMethyl3,3,3-Trifluoropropionate>Methyl 3,3,3-trifluoropropionate, 98.5%

CS-0121472M2783AMY6839Methyl3,3,3,3,3-Trifluoropropionic Acid Methyl EsterFT-0676856SCHEMBL2390553SCHEMBL3123985

데이터베이스 식별자

CAS: 18830-44-9
PubChem CID: 2782392
DTXSID: DTXSID70382062
EC Number: 689-101-4
Nikkaji: J2.202.118D

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 9
형식 전하: 0
복잡도: 107

물리화학적 성질

끓는 점: 95 · 95-96°C
밀도: 1.241 · 1.241
굴절률: 1.3318 · 1.3318
인화점: -1 ℃ · -1℃
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H225 (50%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H226 (50%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): 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 4 reports by companies from 4 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.