4-(Trifluoromethyl)benzophenone

HCID 69767CAS 728-86-9

기본 정보

표준 SMILES: O=C(c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIKey: OHTYZZYAMUVKQS-UHFFFAOYSA-N
분자식: C14H9F3O
평균 분자량: 250.21 g/mol
단동위원소 질량: 250.06054957

이름 및 식별자

우선 이름: 4-(Trifluoromethyl)benzophenone
IUPAC: phenyl-[4-(trifluoromethyl)phenyl]methanone
영어명: 4-(Trifluoromethyl)benzophenone
분자식: C14H9F3O
분자량: 250.22

이름 및 동의어

4-(Trifluoromethyl)benzophenone728-86-94'-TrifluoromethylbenzophenoneEINECS 211-974-3DTXSID10223122NSC 88328RefChem:517136DTXCID10145613211-974-3phenyl-[4-(trifluoromethyl)phenyl]methanone4-TrifluoromethylbenzophenonePhenyl[4-(trifluoromethyl)phenyl]methanone

이름 더 보기

11β-HSD1-IN-7Phenyl(4-(trifluoromethyl)P-TRIFLUOROMETHYL BENZOPHENONE4-(Trifluoromethyl)benzophenone97%4-(TRIFLUOROMETHYL)BENZOPHENONE 97%4-(Trifluoromethyl)benzophenone, 98+%Phenyl[4-(trifluoromethyl)phenyl] ketone

phenyl(4-(trifluoromethyl)phenyl)methanoneMFCD00000400Methanone, phenyl[4-(trifluoromethyl)phenyl]-p-Trifluoromethylbenzophenone11|A-HSD1-IN-7SCHEMBL1781341A837654AB-131/40897209

데이터베이스 식별자

CAS: 728-86-9
PubChem CID: 69767
DTXSID: DTXSID10223122
EC Number: 211-974-3
Nikkaji: J193.099K

물성

구조 계산 물성

XLogP: 4.1
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 18
형식 전하: 0
복잡도: 284

물리화학적 성질

녹는점: 114 · 114-116 °C(lit.)
끓는 점: 309.2 · 309.2±42.0 °C(Predicted)
밀도: 1.2778 · 1.2778 (estimate)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 결정질 고체
색상: 미색부터 베이지까지
BRN: 1879572 · 1879572
InChI: InChI=1S/C14H9F3O/c15-14(16,17)12-8-6-11(7-9-12)13(18)10-4-2-1-3-5-10/h1-9H
InChIKey: OHTYZZYAMUVKQS-UHFFFAOYSA-N
SMILES: C(C1=CC=CC=C1)(C1=CC=C(C(F)(F)F)C=C1)=O

화학적 성질

OFF-WHITE TO BEIGE CRYSTALLINE SOLID

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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.