2-브로모-5-(트리플루오로메틸)벤즈알데히드

2-Bromo-5-(trifluoromethyl)benzaldehyde

HCID 7018047CAS 102684-91-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=Cc1cc(C(F)(F)F)ccc1Br
InChIKey: CSOBJYGHQOLWOD-UHFFFAOYSA-N
분자식: C8H4BrF3O
평균 분자량: 253.02 g/mol
단동위원소 질량: 251.93976151

이름 및 식별자

우선 이름: 2-Bromo-5-(trifluoromethyl)benzaldehyde
IUPAC: 2-bromo-5-(trifluoromethyl)benzaldehyde
현지명: 2-브로모-5-(트리플루오로메틸)벤즈알데히드
영어명: 2-Bromo-5-(trifluoromethyl)benzaldehyde
분자식: C8H4BrF3O
분자량: 253.02

이름 및 동의어

2-Bromo-5-(trifluoromethyl)benzaldehyde102684-91-3DTXSID00907984RefChem:466747DTXCID301337071672-156-32-bromo-5-trifluoromethylbenzaldehydeBenzaldehyde, 2-bromo-5-(trifluoromethyl)-MFCD049737602-bromo-5-trifluoromethyl benzaldehydeSY014638bromo 5-trifluoromethyl benzaldehyde

이름 더 보기

2-브로모-5-(트리플루오로메틸)벤즈알데히드4-Bromo-3-formylbenzotrifluoride1-(4-Amino-2-hydroxyphenyl)ethane-2-one2-Bromo-5-(trifluoromethyl)benzaldehyde >2-BroMo-5-(trifluoroMethyl)benzaldehyde, 95+%4-Bromo-3-formylbenzotrifluoride, 6-Bromo-alpha,alpha,alpha-trifluoro-m-tolualdehyde

CL8259SBB063621AKOS0050638302-bromo-5-(trifluoromethy)benzaldehyde2-Bromo-5-trifluoromethyl-benzaldehydeAB21419AC-2296CS-W007492

데이터베이스 식별자

CAS: 102684-91-3
PubChem CID: 7018047
DTXSID: DTXSID00907984
EC Number: 672-156-3
Nikkaji: J2.713.577C

물성

구조 계산 물성

XLogP: 3
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 192

물리화학적 성질

끓는 점: 239.1 · 239.1±35.0 °C(Predicted)
밀도: 1.677 · 1.677±0.06 g/cm3(Predicted)
굴절률: 1.511 · 1.511
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 투명한 액체
색상: Colorless to Light yellow to Light orange
InChI: InChI=1S/C8H4BrF3O/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-4H
InChIKey: CSOBJYGHQOLWOD-UHFFFAOYSA-N
SMILES: C(=O)C1=CC(C(F)(F)F)=CC=C1Br

화학적 성질

Pale yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (11.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, 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 9 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.