4-(디플루오로메톡시)페나실브로마이드

2-Bromo-1-(4-(difluoromethoxy)phenyl)ethan-1-one

HCID 703496

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 141134-24-9
표준 SMILES: O=C(CBr)c1ccc(OC(F)F)cc1
InChIKey: JMUKUVDYZQDUSP-UHFFFAOYSA-N
분자식: C9H7BrF2O2
평균 분자량: 265.05 g/mol
단동위원소 질량: 263.95975

이름 및 식별자

우선 이름: 2-Bromo-1-(4-(difluoromethoxy)phenyl)ethan-1-one
IUPAC: 2-bromo-1-[4-(difluoromethoxy)phenyl]ethanone
현지명: 4-(디플루오로메톡시)페나실브로마이드
영어명: 4-(Difluoromethoxy)phenacyl bromide
분자식: C9H7BrF2O2
분자량: 265.05

이름 및 동의어

141134-24-92-bromo-1-[4-(difluoromethoxy)phenyl]ethan-1-oneDTXSID603515602-bromo-1-(4-(difluoromethoxy)phenyl)ethan-1-oneRefChem:256820DTXCID90302626670-823-32-Bromo-1-(4-(difluoromethoxy)phenyl)ethanone4-(difluoromethoxy)phenacyl bromide2-bromo-1-[4-(difluoromethoxy)phenyl]ethanone2-Bromo-4'-(difluoromethoxy)acetophenoneMFCD00052200

이름 더 보기

4-(디플루오로메톡시)페나실브로마이드4-(Difluoromethoxy)phenacylbromide98%4-(Difluoromethoxy)phenacyl bromide 98%2-Bromo-4\'-(difluoromethoxy)acetophenone1-(4-difluoromethoxyphenyl)-2-bromoethan-1-oneEthanone, 2-bromo-1-[4-(difluoromethoxy)phenyl]-2-Bromo-1-[4-(difluoromethoxy)phenyl]ethan-1-one,97%

Ethanone,2-bromo-1-[4-(difluoromethoxy)phenyl]-SCHEMBL18563024-difluoromethoxyphenacyl bromide4-difluoromethoxylphenacyl bromideYQF1424SBB1028722-bromo-4'-difluoromethoxyacetophenoneAKOS001116769

데이터베이스 식별자

CAS: 141134-24-9
PubChem CID: 703496
DTXSID: DTXSID60351560
EC Number: 670-823-3
Nikkaji: J1.806.741B

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 14
형식 전하: 0
복잡도: 191

물리화학적 성질

녹는점: 66 · 66-68°C
끓는 점: 301.9 · 301.9±37.0 °C(Predicted)
밀도: 1.564 · 1.564±0.06 g/cm3(Predicted)
물리적 상태: 크리스탈
색상: Clear to white, tiny
InChI: 1S/C9H7BrF2O2/c10-5-8(13)6-1-3-7(4-2-6)14-9(11)12/h1-4,9H,5H2
InChIKey: JMUKUVDYZQDUSP-UHFFFAOYSA-N
SMILES: FC(F)Oc1ccc(cc1)C(=O)CBr

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (50%)；Acute Tox. 4 (50%)；Skin Corr. 1B (50%)；Skin Irrit. 2 (50%)；Eye Irrit. 2 (50%)；Acute Tox. 4 (50%)；STOT SE 3 (75%)