3,4,5-Trifluorobenzyl alcohol

HCID 2777040

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 220227-37-2
표준 SMILES: OCc1cc(F)c(F)c(F)c1
InChIKey: HRSFRSLKOPFWMZ-UHFFFAOYSA-N
분자식: C7H5F3O
평균 분자량: 162.11 g/mol
단동위원소 질량: 162.02924944

이름 및 식별자

우선 이름: 3,4,5-Trifluorobenzyl alcohol
IUPAC: (3,4,5-trifluorophenyl)methanol
영어명: 3,4,5-Trifluorobenzenemethanol
분자식: C7H5F3O
분자량: 162.11

이름 및 동의어

3,4,5-Trifluorobenzyl alcohol220227-37-2DTXSID50380344RefChem:270586DTXCID90331370HRSFRSLKOPFWMZ-UHFFFAOYSA-N(3,4,5-trifluorophenyl)methanolBenzenemethanol, 3,4,5-trifluoro-3,4,5-TrifluorobenzenemethanolMFCD00083527SCHEMBL391375(3,4,5-trifluoro-phenyl)methanol

이름 더 보기

RARECHEM AL BD 03433,4,5-Trifluorobenzoyl alcohol3,4,5-TRIFLUORO BENZENEMETHANOL3,4,5-Trifluorobenzyl alcohol 97%Benzenemethanol, 3,4,5-trifluoro- (9CI)(3,4,5-Trifluorophenyl)methanol - [T89243]

(3,4,5-trifluorophenyl) methanol(3,4,5-trifluoro phenyl) methanol(3,4,5-trifluorophenyl)methan-1-olFT-0614144A815836SCHEMBL2089547SCHEMBL169619053,4,5-trifluoro-benzenemethanol

데이터베이스 식별자

CAS: 220227-37-2
PubChem CID: 2777040
DTXSID: DTXSID50380344
EC Number: 642-879-9

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: 203 · 203-204 °C760 mm Hg(lit.)
밀도: 1.385 g/mL · 1.385 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.4700(lit.)
인화점: 210 °F · 210 °F
저장 조건: 2 · Storage temp. 2-8°C
물리적 상태: 융합된 고체
색상: White/colourless
수용성: 100 g/L에 · 물 100g/L에 용해됩니다.
BRN: 8681069 · 8681069
InChI: InChI=1S/C7H5F3O/c8-5-1-4(3-11)2-6(9)7(5)10/h1-2,11H,3H2
InChIKey: HRSFRSLKOPFWMZ-UHFFFAOYSA-N
SMILES: C1(CO)=CC(F)=C(F)C(F)=C1

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 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.