CAS 103962-10-3 2-Bromo-1-[4-(trifluoromethoxy)phenyl]ethan-1-one (HCID 2778691)

기본 정보

CAS: 103962-10-3
표준 SMILES: O=C(CBr)c1ccc(OC(F)(F)F)cc1
InChIKey: AOAGGWLQIILIIV-UHFFFAOYSA-N
분자식: C9H6BrF3O2
평균 분자량: 283.04 g/mol
단동위원소 질량: 281.95033

이름 및 식별자

우선 이름: 2-Bromo-1-[4-(trifluoromethoxy)phenyl]ethan-1-one
IUPAC: 2-bromo-1-[4-(trifluoromethoxy)phenyl]ethanone
현지명: 4-(트리플루오로메톡시)페놀브로마이드
영어명: 4-(TRIFLUOROMETHOXY)PHENACYL BROMIDE
분자식: C9H6BrF3O2
분자량: 283.04

이름 및 동의어

2-Bromo-1-[4-(Trifluoromethoxy)Phenyl]Ethan-1-One2-bromo-1-(4-(trifluoromethoxy)phenyl)ethan-1-oneRefChem:465946628-433-6103962-10-34-(Trifluoromethoxy)phenacyl bromide2-Bromo-1-(4-(trifluoromethoxy)phenyl)ethanone2-Bromo-4'-(trifluoromethoxy)acetophenone2-bromo-1-[4-(trifluoromethoxy)phenyl]ethanoneMFCD00052333Ethanone, 2-bromo-1-[4-(trifluoromethoxy)phenyl]-2-Bromo-4'-trifluoromethoxyacetophenone

이름 더 보기

4-(트리플루오로메톡시)페놀브로마이드BUTTPARK 35\01-565-(Trifluoromethoxy)phenacyl bromide1,1,1-Trifluoromethoxypent-3-en-2-one4-(Trifluoromethoxy)phenacylbromide97%2-brom-4'-(trifluormethoxy)-acetophenon4-(Trifluoromethoxy)phenacyl bromide 97%

p-(trifluoromethoxy)phenacyl bromide2-Bromo-1-(4-trifluoromethoxy-phenyl)-ethanoneSCHEMBL6396324-trifluoromethoxyphenacyl bromideDTXSID403810824-(Trifluoromethoxy)phenacylbromideCL86354-(Trifluoromethoxy)phenacyl bromide;

데이터베이스 식별자

CAS: 103962-10-3
PubChem CID: 2778691
DTXSID: DTXSID40381082
EC Number: 628-433-6
Nikkaji: J1.690.428G

물성

구조 계산 물성

XLogP: 3.6
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 222

물리화학적 성질

녹는점: 55 °C · 55 °C
끓는 점: 266 · 266.0±35.0 °C(Predicted)
밀도: 1.621 · 1.621±0.06 g/cm3(Predicted)
인화점: 110 °C · 110 °C
저장 조건: 2 · 2-8°C
용해도: 클로로포름(소량으로 용해), 메탄올(약간 용해됨)
물리적 상태: 고체
색상: 옅은 노랑
InChI: 1S/C9H6BrF3O2/c10-5-8(14)6-1-3-7(4-2-6)15-9(11,12)13/h1-4H,5H2
InChIKey: AOAGGWLQIILIIV-UHFFFAOYSA-N
SMILES: FC(F)(F)Oc1ccc(cc1)C(=O)CBr

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H317 (92.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (95.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.