4-(Trifluoromethoxy)benzenemethanol

HCID 137184CAS 1736-74-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: OCc1ccc(OC(F)(F)F)cc1
InChIKey: ZLSOZAOCYJDPKX-UHFFFAOYSA-N
분자식: C8H7F3O2
평균 분자량: 192.13 g/mol
단동위원소 질량: 192.03981412

개요

[4-(Trifluoromethoxy)phenyl]methanol is an aromatic ether.

이름 및 식별자

우선 이름: 4-(Trifluoromethoxy)benzenemethanol
IUPAC: [4-(trifluoromethoxy)phenyl]methanol
영어명: 4-(Trifluoromethoxy)benzyl alcohol
분자식: C8H7F3O2
분자량: 192.14

이름 및 동의어

4-(trifluoromethoxy)benzenemethanolRefChem:5170704-(Trifluoromethoxy)benzyl alcohol1736-74-9[4-(Trifluoromethoxy)phenyl]methanol(4-(Trifluoromethoxy)phenyl)methanolBenzenemethanol, 4-(trifluoromethoxy)-p-Trifluoromethoxybenzyl alcohol4-(Trifluoromethoxy)benzylalcoholMFCD00036029[4-(Trifluoromethoxy)pheny]methanolPS-8337

이름 더 보기

RARECHEM AL BD 02844-TrifluoromethoxybenzylalcholP-(TRIFLUOROMETHOXY)BENZYL ALCOHOL4-(Trifluoromethoxy)benzylalcohol97%4-(Trifluoromethoxy)benzyl alcohol 97%

SY011516[4-(trifluoromethoxy)phenyl]methan-1-olp-trifluoromethoxybenzylalchol4-trifluoromethoxybenzyl alcohol4-(Trifluoromethoxy)-benzenemethanol; p-(Trifluoromethoxy)-benzyl Alcohol; 4-(Trifluoromethoxy)benzenemethanol; [4-(Trifluoromethoxy)phenyl]methanolFT-0616885A22548SCHEMBL963834

데이터베이스 식별자

CAS: 1736-74-9
PubChem CID: 137184
DTXSID: DTXSID10169637
ChEBI: CHEBI:195150
EC Number: 642-868-9
Nikkaji: J747.835F

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 150

물리화학적 성질

끓는 점: 108 °C25 · 108 °C25 mm Hg(lit.)
밀도: 1.326 g/mL · 1.326 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.449(lit.)
인화점: 209 °F · 209 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름, 메탄올에 용해됨
물리적 상태: 기름
산도 계수 (pKa): 14.03 · 14.03±0.10(Predicted)
색상: 투명 무색
Specific Gravity: 1.326 · 1.326
BRN: 1950379 · 1950379
InChI: 1S/C8H7F3O2/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-4,12H,5H2
InChIKey: ZLSOZAOCYJDPKX-UHFFFAOYSA-N
SMILES: OCc1ccc(OC(F)(F)F)cc1
NIST: P-trifluoromethoxybenzyl alcohol(1736-74-9)

화학적 성질

clear light pink liquid

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

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29094990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 24/25
위험 등급: IRRITANT
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도4-(Trifluoromethoxy)benzyl alcohol is used in biological processes as substrate specificity of inducible O-demethylase of Sporomusa ovata for methoxynaphthols, methoxyfuran and fluoroanisols under anaerobic conditions.

일반 설명4-(Trifluoromethoxy)benzyl alcohol is an organic building block.