1,1,1-Trifluoro-2-propanol (HCID 9774)

개요

structure in first source

이름 및 식별자

우선 이름: 1,1,1-Trifluoro-2-propanol
IUPAC: 1,1,1-trifluoropropan-2-ol
영어명: 1,1,1-Trifluoro-2-propanol
분자식: C3H5F3O
분자량: 114.07

이름 및 동의어

374-01-61,1,1-TRIFLUORO-2-PROPANOL2-Propanol, 1,1,1-trifluoro-DTXSID20870520RefChem:478404DTXCID90818237206-773-21,1,1-Trifluoropropan-2-ol1,1,1-trifluoro-propan-2-ol1,1,1-TrifluoroisopropanolMFCD000144031-Methyl-2,2,2-trifluoroethanol

이름 더 보기

Cediranib Impurity 21,1,1-TRIFLUOROPROPANOL-21,1,1-trifluoro-2-propano2-propanol,1,1,1-trifluoro-1,1,1-Trifluoropropan-2-ol97%1,1,1-Trifluoropropan-2-ol 97%

NSC 3637EINECS 206-773-217556-48-81,1,1,-trifluoro-2-propanolrac-1,1,1,-trifluoro-2-propanol(rac)-1,1,1-trifluoro-propan-2-ol1,1,1-Trifluoro-2-propanol, 97%SB36890

데이터베이스 식별자

CAS: 374-01-6
PubChem CID: 9774
DTXSID: DTXSID20870520
EC Number: 206-773-2
Nikkaji: J213.569H

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 7
형식 전하: 0
복잡도: 57.7

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Halogenated Alcohols

SpringerMaterials PropertiesBoiling point

LogP0.71

Vapor Pressure60.9 [mmHg]

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: -52 °C · -52 °C
끓는 점: 81 · 81-82 °C(lit.)
밀도: 1.259 g/mL · 1.259 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.316(lit.)
인화점: 65 °F · 65 °F
저장 조건: 2 · Storage temp. 2-8°C
물리적 상태: 액체
산도 계수 (pKa): 12.53 · 12.53±0.20(Predicted)
색상: 투명한
수용성: 물에 완전히 섞임.
BRN: 1734738 · 1734738
Henry's Law Constant: 1.3 · 1.3×10-1 mol/(m3Pa) at 25℃, I. et al. (1999)
InChI: InChI=1S/C3H5F3O/c1-2(7)3(4,5)6/h2,7H,1H3
InChIKey: GILIYJDBJZWGBG-UHFFFAOYSA-N
SMILES: C(F)(F)(F)C(O)C
EPA: 2 · 2-Propanol, 1,1,1-trifluoro- (374-01-6)

화학적 성질

Clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (89.8%): Highly Flammable liquid and vapor [Danger Flammable liquids]

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 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazards SummaryAn irritant; [Alfa Aesar MSDS] See Trifluoroethanol and 1,3-Dichloro-2-propanol.

Hazard Classes and CategoriesFlam. Liq. 2 (89.8%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 1
HS 번호: 29055900
risk_code: 11-36/37/38
hazard_code: F,Xi
safety_code: 16-26-33-36
포장분류: III
위험 등급: 3
위험 참고 사항: Flammable/Irritant
Hazard Classifications: Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

General Manufacturing Information2-Propanol, 1,1,1-trifluoro-: ACTIVE

응용 분야

용도1,1,1-Trifluoro-2-propanol is used as a chemical building block.

일반 설명1,1,1-Trifluoro-2-propanol, a fluoroalcohol, is an organic solvent. Vibrational spectral analysis of OH and OD groups of 1,1,1-trifluoro-2-propanol and its deuterated derivatives has been conducted.