(R)-3,3,3-트리플루오로-2-하이드록시-2-메틸프로피온산

(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoic acid

HCID 2760712

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 44864-47-3
표준 SMILES: C[C@@](O)(C(=O)O)C(F)(F)F
InChIKey: CTGJACFEVDCYMC-GSVOUGTGSA-N
분자식: C4H5F3O3
평균 분자량: 158.08 g/mol
단동위원소 질량: 158.0190785

이름 및 식별자

우선 이름: (2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoic acid
IUPAC: (2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoic acid
현지명: (R)-3,3,3-트리플루오로-2-하이드록시-2-메틸프로피온산
영어명: (R)-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPIONIC ACID
분자식: C4H5F3O3
분자량: 158.08

이름 및 동의어

44864-47-3(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoic acidRefChem:397297671-272-1(R)-3,3,3-Trifluoro-2-hydroxy-2-methylpropanoic acid(R)-3,3,3-Trifluoro-2-hydroxy-2-methylpropionic Acid(R)-2-Hydroxy-2-(trifluoromethyl)propionic AcidMFCD03095400(R)-3,3,3-trifluoro-2-hydroxy-2-methyl-propionic acidSCHEMBL569205AKOS005063595(r)-trifluoro-2-hydroxy-2-methylpropionic acid

이름 더 보기

(R)-3,3,3-트리플루오로-2-하이드록시-2-메틸프로피온산R-TFM-LA(R)-3,3,3-TrifLuoro-2-hydroxy-2-methyL(-)-3,3,3-Trifluoro-2-methyl-L-lactic acid(R)-3,3,3-TRIFLUORO-2-HYDROXYISOBUTYRIC ACID(R)-3,3,3-Trifluoro-2-hydroxy-2-methylpropionic

(R)-2-(Trifluoromethyl)-2-hydroxypropionic acidPropanoic acid, 3,3,3-trifluoro-2-hydroxy-2-methyl-, (2R)-(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-propanoic acid(R)-2-hydroxy-2-methyl-3,3,3-trifluoropropanoic acidDTXSID101379849AS-1039CS-W000653SB37224

데이터베이스 식별자

CAS: 44864-47-3
PubChem CID: 2760712
DTXSID: DTXSID101379849
EC Number: 671-272-1
Nikkaji: J1.092.118J

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 57.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 6
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 152

물리화학적 성질

녹는점: 110 °C · 110 °C
끓는 점: 247.4 · 247.4±35.0℃ (760 Torr)
밀도: 1.532 · 1.532±0.06 g/cm3 (20 ºC 760 Torr)
굴절률: 16.5 ° · 16.5 ° (C=5, H2O)
인화점: 103.4 · 103.4±25.9℃
저장 조건: 2 · Inert atmosphere,2-8°C
수용성: 물에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 2.46 · 2.46±0.22(Predicted)
색상: 흰색에서 거의 흰색
InChI: InChI=1S/C4H5F3O3/c1-3(10,2(8)9)4(5,6)7/h10H,1H3,(H,8,9)/t3-/m1/s1
InChIKey: CTGJACFEVDCYMC-GSVOUGTGSA-N
SMILES: C(O)(=O)[C@](O)(C)C(F)(F)F

화학적 성질

white powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H290 (20%): May be corrosive to metals [Warning Corrosive to Metals]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (20%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 3 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.