2,4,6-Trifluorobenzyl alcohol

HCID 2777037CAS 118289-07-9

기본 정보

표준 SMILES: OCc1c(F)cc(F)cc1F
InChIKey: YJQDVBPZXNALEE-UHFFFAOYSA-N
분자식: C7H5F3O
평균 분자량: 162.11 g/mol
단동위원소 질량: 162.02924944

이름 및 식별자

우선 이름: 2,4,6-Trifluorobenzyl alcohol
IUPAC: (2,4,6-trifluorophenyl)methanol
영어명: 2,4,6-Trifluorobenzyl alcohol
분자식: C7H5F3O
분자량: 162.11

이름 및 동의어

2,4,6-Trifluorobenzyl alcohol118289-07-9DTXSID30380342RefChem:245780DTXCID20331368642-862-6(2,4,6-trifluorophenyl)methanolMFCD000612072,4,6-trifluorobenzylalcohol(2,4,6-trifluorophenyl)methan-1-olBenzenemethanol,2,4,6-trifluoro-SCHEMBL96130

이름 더 보기

RARECHEM AL BD 03152,4,6-Trifluorbenzyl alcohol2,4,6-Trifluorobenzyl alkohol2,4,6-Trifluoro-benzenemethanol2,4,6-Trifluorobenzylalcohol97%2,4,6-Trifluorobenzyl alcohol 97%Benzenemethanol, 2,4,6-trifluoro-2,4,6-TRIFLU2,4,6-TRIFLUOROBENZYL ALCOHOLOROBENZYL ALCOHOL

SCHEMBL96131YJQDVBPZXNALEE-UHFFFAOYSA-N2,4,6-trifluorophenylmethyl alcoholSBB087567AKOS009159033AS-15006SY032392CS-0196539

데이터베이스 식별자

CAS: 118289-07-9
PubChem CID: 2777037
DTXSID: DTXSID30380342
EC Number: 642-862-6

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 119

물리화학적 성질

끓는 점: 179.5 · 179.5±35.0℃ (760 Torr)
밀도: 1.398 · 1.398±0.06 g/cm3 (20 ºC 760 Torr)
인화점: 77.5 · 77.5±20.4℃
저장 조건: 2 · 2-8°C
물리적 상태: 크리스탈
산도 계수 (pKa): 13.34 · 13.34±0.10(Predicted)
색상: Light beige/light brown

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 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.