트리플로르메틸-2벤질알콜

2-(Trifluoromethyl)benzylic alcohol

HCID 67666CAS 346-06-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: OCc1ccccc1C(F)(F)F
InChIKey: TWQNSHZTQSLJEE-UHFFFAOYSA-N
분자식: C8H7F3O
평균 분자량: 176.14 g/mol
단동위원소 질량: 176.0448995

개요

[2-(Trifluoromethyl)phenyl]methanol is a member of (trifluoromethyl)benzenes.

이름 및 식별자

우선 이름: 2-(Trifluoromethyl)benzylic alcohol
IUPAC: [2-(trifluoromethyl)phenyl]methanol
현지명: 트리플로르메틸-2벤질알콜
영어명: 2-(Trifluoromethyl)benzyl alcohol
분자식: C8H7F3O
분자량: 176.14

이름 및 동의어

346-06-52-(Trifluoromethyl)benzylic alcohol2-(Trifluoromethyl)benzenemethanolEINECS 206-467-9DTXSID10188166RefChem:462554DTXCID40110657206-467-92-(Trifluoromethyl)benzyl alcohol(2-(Trifluoromethyl)phenyl)methanol[2-(Trifluoromethyl)phenyl]methanolo-Trifluoromethylbenzyl alcohol

이름 더 보기

2-(트라이플루오로메틸)벤질알코올트리플로르메틸-2벤질알콜2-(트라이플루오로메틸)벤질 알코올OTF-BYLRARECHEM AL BD 00462-TRIFLUOROBENZYL ALCOHOLo-Trifluoromethylbenzyl alchol2-Hydroxymethylbenzotrifluoride2-TRIFLUOROMETHYL BENZENE METHANOL2-(Trifluoromethyl)benzylalcohol97%

2-(trifluoromethyl)benzylalcoholMFCD00004621Benzenemethanol, 2-(trifluoromethyl)-o-(trifluoromethyl)benzyl alcohol[2-(trifluoromethyl)phenyl]methan-1-ol2-trifluoromethylbenzyl alcoholSCHEMBL44837SCHEMBL481000

데이터베이스 식별자

CAS: 346-06-5
PubChem CID: 67666
DTXSID: DTXSID10188166
ChEBI: CHEBI:195111
EC Number: 206-467-9
Nikkaji: J193.800B

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 144

물리화학적 성질

녹는점: 4 °C · 4°C
끓는 점: 90 °C20 · 90 °C20 mm Hg(lit.)
밀도: 1.326 g/mL · 1.326 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.468(lit.)
인화점: 198 °F · 198 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
산도 계수 (pKa): 14.01 · 14.01±0.10(Predicted)
색상: 무색 내지 거의 무색
BRN: 2093714 · 2093714
InChI: 1S/C8H7F3O/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-4,12H,5H2
InChIKey: TWQNSHZTQSLJEE-UHFFFAOYSA-N
SMILES: OCc1ccccc1C(F)(F)F
NIST: 2 · 2-(Trifluoromethyl)benzyl alcohol(346-06-5)

화학적 성질

Colorless to light yellow liqui

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.