3,3,3-트리플루오로락틱산

3,3,3-Trifluoro-2-hydroxypropanoic acid

HCID 244896CAS 684-07-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(O)C(O)C(F)(F)F
InChIKey: BVKGUTLIPHZYCX-UHFFFAOYSA-N
분자식: C3H3F3O3
평균 분자량: 144.05 g/mol

이름 및 식별자

우선 이름: 3,3,3-Trifluoro-2-hydroxypropanoic acid
IUPAC: 3,3,3-trifluoro-2-hydroxypropanoic acid
현지명: 3,3,3-트리플루오로락틱산
영어명: 3,3,3-Trifluorolactic acid
분자식: C3H3F3O3
분자량: 144.05

이름 및 동의어

3,3,3-trifluoro-2-hydroxypropanoic acidRefChem:485060633-249-4684-07-13,3,3-Trifluorolactic acidTRIFLUOROLACTIC ACID3,3,3-TRIFLUORO-DL-LACTIC ACIDMFCD000518022-Hydroxy-3,3,3-trifluoropropanoic acidPROPANOIC ACID, 3,3,3-TRIFLUORO-2-HYDROXY-rac-Trifluorolactic Acid3,3,3-TRIFLUORO-2-HYDROXYPROPIONIC ACID

이름 더 보기

3,3,3-트리플루오로락틱산(S)-3,3,3-Trifluoro-2-hydroxypropionic acidTF-LA3,3,3-Trifluorolacticacid,96%3,3,3-Trifluorolactic acid 96%

(DL)-3,3,3-TRIFLUOROLACTIC ACID3,3,3-TRIFLUOROLACTICACIDC3H3F3O3(R)-Trifluorolactic Acid2-Hydroxy-3,3,3-trifluoropropionic acid3,3,3-Trifluoro-D-lactic acid2-Hydroxy-3,3,3-trifluoropropanoic Acid; 3,3,3-Trifluoro-2-hydroxypropanoic Acid; 3,3,3-Trifluoro-2-hydroxypropionic Acid; 3,3,3-Trifluorolactic Acid; NSC 56231; ss,ss,ss-Trifluorolactic acidNSC56231

데이터베이스 식별자

CAS: 684-07-1
PubChem CID: 244896
EC Number: 633-249-4
Nikkaji: J3.200.813E

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 57.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 6
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 118

물리화학적 성질

녹는점: 68 · 68-69°C
끓는 점: 157 °C · 157°C 123mm
밀도: 1.656 · 1.656±0.06 g/cm3(Predicted)
인화점: 157 °C/123mm · 157°C/123mm
저장 조건: 2 · Storage temp. 2-8°C
산도 계수 (pKa): 2.29 · 2.29±0.11(Predicted)
물리적 상태: 가루
색상: 하얀색
수용성: 물에 용해됩니다.
BRN: 1907003 · 1907003
InChI: 1S/C3H3F3O3/c4-3(5,6)1(7)2(8)9/h1,7H,(H,8,9)
InChIKey: BVKGUTLIPHZYCX-UHFFFAOYSA-N
SMILES: OC(C(O)=O)C(F)(F)F

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (14.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.