1,1,1-Trifluoro-2-methylpropan-2-ol (HCID 68182)

이름 및 식별자

우선 이름: 1,1,1-Trifluoro-2-methylpropan-2-ol
IUPAC: 1,1,1-trifluoro-2-methylpropan-2-ol
영어명: 2-Trifluoromethyl-2-propanol
분자식: C4H7F3O
분자량: 128.09

이름 및 동의어

507-52-81,1,1-Trifluoro-2-methylpropan-2-ol1,1,1-trifluoro-2-methyl-2-propanol2-Propanol, 1,1,1-trifluoro-2-methyl-EINECS 208-075-3MM78D29ULQNSC-3633DTXSID801987521-TRIFLUOROMETHYLISOPROPANOLNSC 3633TRIFLUORO-TERT-BUTYL ALCOHOLRefChem:409444

이름 더 보기

SKL0672,2,2-Trifluoro-tert-Butanol2-Trifluoromethylisopropanol2-(TRIFLUOROMETHYL)-PROPANOL-22-TRIFLUOROMETHYL-2-PROPANOL 95%2-(Trifluoromethyl)propan-2-ol98%

DTXCID40121243208-075-32-Trifluoromethyl-2-propanol2-(Trifluoromethyl)propan-2-ol2-(trifluoromethyl)-2-propanolMFCD00014391NSC3633UNII-MM78D29ULQ

데이터베이스 식별자

CAS: 507-52-8
PubChem CID: 68182
DTXSID: DTXSID80198752
UNII: MM78D29ULQ
EC Number: 208-075-3
Nikkaji: J25.040F

물성

구조 계산 물성

XLogP: 1
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 83

물리화학적 성질

녹는점: 53 ℃ · 53℃
끓는 점: 83 °C · 83 °C (lit.)
밀도: 1.17 g/mL · 1.17 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.3335(lit.)
인화점: 59 °F · 59 °F
산도 계수 (pKa): 12.6 · 12.60±0.29(Predicted)
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
BRN: 1736196 · 1736196
InChI: 1S/C4H7F3O/c1-3(2,8)4(5,6)7/h8H,1-2H3
InChIKey: OCGWWLDZAFOHGD-UHFFFAOYSA-N
SMILES: CC(C)(O)C(F)(F)F

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H225 (97.9%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H315 (14.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (14.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (14.9%): 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 47 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.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 2 (97.9%)；Skin Irrit. 2 (14.9%)；Eye Irrit. 2A (14.9%)；STOT SE 3 (14.9%)

안전 데이터

wgk: 3
ridadr: 1987
HS 번호: 2905599890
risk_code: 11
hazard_code: F
safety_code: 16-23-36
포장분류: II
위험 등급: 3
위험 참고 사항: Flammable
Hazard Classifications: Flam. Liq. 2
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 2건

용도2-Trifluoromethyl-2-propanol may be employed as a solvent for the preparation of [18F]fluorothymidine. It may also be used in the synthesis of [2-(trifluoromethyl)-2-propyl nitrate] through nitration in nitric acid/trifluoroacetic anhydride.

일반 설명2-Trifluoromethyl-2-propanol is a fluorinated aliphatic alcohol. It can be prepared by reacting methyllithium, trifluoroacetone and trifluorovinyl bromide in ether. This can also be synthesized from the reaction between methylmagnesium bromide and 1,1,1-trifluoroacetone in ether.