2-트리플루오로메톡시페놀

2-(Trifluoromethoxy)phenol

HCID 2777299CAS 32858-93-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Oc1ccccc1OC(F)(F)F
InChIKey: GQWMNVOVQZIPJC-UHFFFAOYSA-N
분자식: C7H5F3O2
평균 분자량: 178.11 g/mol
단동위원소 질량: 178.02416406

이름 및 식별자

우선 이름: 2-(Trifluoromethoxy)phenol
IUPAC: 2-(trifluoromethoxy)phenol
현지명: 2-트리플루오로메톡시페놀
영어명: 2-Trifluoromethoxyphenol
분자식: C7H5F3O2
분자량: 178.11

이름 및 동의어

2-(Trifluoromethoxy)phenol32858-93-8GQWMNVOVQZIPJC-UHFFFAOYSA-DTXSID70380462RefChem:84898DTXCID60331488642-553-6InChI=1/C7H5F3O2/c8-7(9,10)12-6-4-2-1-3-5(6)11/h1-4,11H2-(Trifluorormethoxy)phenol2-trifluoromethoxyphenol2-Hydroxyphenyl Trifluoromethyl EtherMFCD00236324

이름 더 보기

2-트리플루오로메톡시페놀2-TrifluoromethoxyphTRIFLUORMETHOXYPHENOL2-(Trifluoromethoxy)Phen2-trifluoroMethoxylphenol2-(Trifluoromethoxy)pheno2-(Trifluoromethoxy)phenol98%

O-TRIFLUOROMETHOXYPHENOL2-trifluoromethoxy phenoltrifluoromethoxyphenol2-(trifluormethoxy)phenolPhenol, 2-(trifluoromethoxy)-Trifluoromethoxy phenolo-trifluoromethoxy phenol2-trifluoromethoxy-phenol

데이터베이스 식별자

CAS: 32858-93-8
PubChem CID: 2777299
DTXSID: DTXSID70380462
EC Number: 642-553-6
Nikkaji: J1.490.418B

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 146

물리화학적 성질

끓는 점: 69 · 69-71°C 60mm
밀도: 1 · 1,332 g/cm3
굴절률: 1.443 · 1.443
인화점: 47 °C · 47°C
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 투명한 액체
산도 계수 (pKa): 8.22 · 8.22±0.30(Predicted)
색상: 무색 내지 거의 무색
BRN: 1869013 · 1869013
InChI: InChI=1S/C7H5F3O2/c8-7(9,10)12-6-4-2-1-3-5(6)11/h1-4,11H
InChIKey: GQWMNVOVQZIPJC-UHFFFAOYSA-N
SMILES: C1(O)=CC=CC=C1OC(F)(F)F

화학적 성질

Clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H226 (22.2%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (22.2%)

안전 데이터

wgk: WGK 3
ridadr: 2927
HS 번호: 29095000
risk_code: 10-20/21/22-34-43-36-25-36/38
hazard_code: Xi,T
safety_code: 26-36/37/39-45-36/37
포장분류: III
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 3 OralAquatic Chronic 3Eye Irrit. 2Skin Sens. 1
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects