트리플루오로아세탈데하이드메틸헤미아세탈

2,2,2-Trifluoro-1-methoxyethanol

HCID 9892CAS 431-46-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(O)C(F)(F)F
InChIKey: GWTBCUWZAVMAQV-UHFFFAOYSA-N
분자식: C3H5F3O2
평균 분자량: 130.07 g/mol
단동위원소 질량: 130.02416388

이름 및 식별자

우선 이름: 2,2,2-Trifluoro-1-methoxyethanol
IUPAC: 2,2,2-trifluoro-1-methoxyethanol
현지명: 트리플루오로아세탈데하이드메틸헤미아세탈
영어명: Trifluoroacetaldehyde methyl hemiacetal
분자식: C3H5F3O2
분자량: 130.07

이름 및 동의어

2,2,2-Trifluoro-1-methoxyethanolRefChem:592096207-072-4Trifluoroacetaldehyde methyl hemiacetal431-46-9MFCD000135722,2,2-trifluoro-1-methoxyethan-1-olEthanol, 2,2,2-trifluoro-1-methoxy-TRIFLUOROACETALDEHYDEMETHYLHEMIACETALTrifluoroacetaldehyde methyl hemiacetal (tech.)Trifluoroacetaldehyde methyl hemiacetal, tech.SCHEMBL501205

이름 더 보기

트리플루오로아세탈데하이드메틸헤미아세탈fluoralmethylhemiacetalFLUORAL HEMIMETHYLACETALTRIFLUOROACETALDEHYDE METHYL2,2,2-trifluoro-1-methoxy-ethano1-methoxy-2,2,2-trifluoro-ethanoTRIFUOROACETALDEHYDE HEMIMETHYLACETALTRIFLUOROACETALDEHYDE METHYL HEMIACETA

ETHANOL, 1-METHOXY-2,2,2-TRIFLUORO-DTXSID30883383EN300-179568Fluoral methyl hemiacetalTrifluoroacetaldehyde methyl hemiacetal, AldrichCPRTrifluoroacetaldehyde methyl hemiacetal, tech grade1-Methoxy-2,2,2-trifluoroethanolTrifluoroacetaldehyde Methyl Hemiacetal (contains ca. 10% Methanol)

데이터베이스 식별자

CAS: 431-46-9
PubChem CID: 9892
DTXSID: DTXSID30883383
EC Number: 207-072-4
Nikkaji: J49.839D

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 69

물리화학적 성질

끓는 점: 104 · 104-106°C
밀도: 1 · 1,36 g/cm3
굴절률: 1.33 · 1.33
인화점: 42 °C · 42°C
산도 계수 (pKa): 10.43 · 10.43±0.20(Predicted)
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
BRN: 1737758 · 1737758
InChI: InChI=1S/C3H5F3O2/c1-8-2(7)3(4,5)6/h2,7H,1H3
InChIKey: GWTBCUWZAVMAQV-UHFFFAOYSA-N
SMILES: C(O)(OC)C(F)(F)F
EPA: 2 · Ethanol, 2,2,2-trifluoro-1-methoxy- (431-46-9)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (90%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (40%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (20%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (30%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (40%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (30%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H370 (10%): Causes damage to organs [Danger Specific target organ toxicity, single exposure]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P308+P316, P317, P319, P321, P330, 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 10 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. 3 (100%)；Acute Tox. 4 (90%)；Acute Tox. 4 (40%)；Skin Irrit. 2 (20%)；Eye Irrit. 2 (30%)；Acute Tox. 4 (40%)；STOT SE 3 (30%)；STOT SE 1 (10%)