R-(+)-2-트리플루오로메틸옥시란,97

(2R)-2-(trifluoromethyl)oxirane

HCID 7016923CAS 143142-90-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: FC(F)(F)[C@H]1CO1
InChIKey: AQZRARFZZMGLHL-UWTATZPHSA-N
분자식: C3H3F3O
평균 분자량: 112.05 g/mol
단동위원소 질량: 112.0135992

이름 및 식별자

우선 이름: (2R)-2-(trifluoromethyl)oxirane
IUPAC: (2R)-2-(trifluoromethyl)oxirane
현지명: R-(+)-2-트리플루오로메틸옥시란,97
영어명: R-(+)-2-Trifluoromethyloxirane
분자식: C3H3F3O
분자량: 112.05

이름 및 동의어

143142-90-9(2R)-2-(trifluoromethyl)oxiraneRefChem:68841604-331-7(R)-2-(trifluoromethyl)oxirane(R)-(+)-3,3,3-Trifluoro-1,2-epoxypropaneMFCD08276876R-(+)-2-TRIFLUOROMETHYLOXIRANE, 97R-(+)-3,3,3-Trifluoro-1,2-epoxypropaneC3H3F3O(2R)-(+)-3,3,3-Trifluoro-1,2-propenoxider-trifluoromethyloxirane

이름 더 보기

R-(+)-2-트리플루오로메틸옥시란,97R-(+)-2-Trifluoromethyloxirane(2R)-2-(Trifluoromethyl)oxirane (ee)Oxirane, 2-(trifluoromethyl)-, (2R)-(2R)-2-(Trifluoromethyl)oxirane, (2R)-1,2-Epoxy-3,3,3-trifluoropropane

SCHEMBL309609(R)-2-trifluoromethyl-oxiraneDTXSID401303893AKOS032958222AC-37976AS-54996EN300-200927W11990

데이터베이스 식별자

CAS: 143142-90-9
PubChem CID: 7016923
DTXSID: DTXSID401303893
EC Number: 604-331-7
Nikkaji: J1.744.380A

물성

구조 계산 물성

XLogP: 1
극성 표면적: 12.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 7
형식 전하: 0
복잡도: 76

물리화학적 성질

끓는 점: 25 · 25-32 °C
밀도: 1.294 g/mL · 1.294 g/mL at 25 °C
굴절률: 20 · n20/D <1.300
인화점: -15 °F · -15 °F
저장 조건: 2 · 2-8°C
물리적 상태: 액체
색상: 투명한
InChI: InChI=1S/C3H3F3O/c4-3(5,6)2-1-7-2/h2H,1H2/t2-/m1/s1
InChIKey: AQZRARFZZMGLHL-UWTATZPHSA-N
SMILES: O1C[C@@H]1C(F)(F)F

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H224 (97.7%): Extremely flammable liquid and vapor [Danger Flammable liquids]；H315 (11.4%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (11.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (11.4%): 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 44 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. 1 (97.7%)；Skin Irrit. 2 (11.4%)；Eye Irrit. 2 (11.4%)；STOT SE 3 (11.4%)

안전 데이터

wgk: 3
ridadr: UN 1993 3/PG 1
HS 번호: 2910900090
risk_code: 12
hazard_code: F+
safety_code: 3
Hazard Classifications: Flam. Liq. 1
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 1건

용도(R)-(+)-3,3,3-Trifluoro-1,2-epoxypropane can be used as a substrate to synthesize: Substituted trifluoro amino propanols, which are found to be potent inhibitors of cholesteryl ester transfer protein. (2R) Trifluoro-(methoxybenzyloxy)-propanol (chiral glycol) by reacting with 4-methoxybenzyl alcohol in the presence of NaH. Chiral glycol intermediate is further utilized for the preparation of trifluoromethyl glycol carbamates as potential monoacylglycerol lipase (MAGL) inhibitors.