3',5'-디브로모-4'-하이드록시아세토페논

1-(3,5-Dibromo-4-hydroxyphenyl)ethan-1-one

HCID 76158CAS 2887-72-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(=O)c1cc(Br)c(O)c(Br)c1
InChIKey: ZNWPTJSBHHIXLJ-UHFFFAOYSA-N
분자식: C8H6Br2O2
평균 분자량: 293.94 g/mol
단동위원소 질량: 291.87345363

이름 및 식별자

우선 이름: 1-(3,5-Dibromo-4-hydroxyphenyl)ethan-1-one
IUPAC: 1-(3,5-dibromo-4-hydroxyphenyl)ethanone
현지명: 3',5'-디브로모-4'-하이드록시아세토페논
영어명: 3',5'-Dibromo-4'-hydroxyacetophenone
분자식: C8H6Br2O2
분자량: 293.94

이름 및 동의어

1-(3,5-Dibromo-4-hydroxyphenyl)ethan-1-oneEINECS 220-750-4DTXSID70183071NSC 41698RefChem:422885DTXCID80105562220-750-42887-72-13',5'-Dibromo-4'-hydroxyacetophenone1-(3,5-dibromo-4-hydroxyphenyl)ethanone3,5-dibromo-4-hydroxyacetophenoneMFCD00075779

이름 더 보기

3',5'-디브로모-4'-하이드록시아세토페논AKOS BC-15233,5-Dibromo-p-hydroxyhypnone3,5-dibrom0-4-hydroxyacetophenone3'',5''-Dibromo-4''-hydroxyacetophenoe3',5'-Dibromo-4'-hydroxyacetophenone>1-(3,5-DibroMo-4-hydroxyphenyl)ethanone

Ethanone, 1-(3,5-dibromo-4-hydroxyphenyl)-NSC-416981-acetyl-3,5-dibromo-4-hydroxybenzene2,6-dibromo-4-acetylphenolNSC41698BD3UAE9GSQSCHEMBL1191399SCHEMBL29175300

데이터베이스 식별자

CAS: 2887-72-1
PubChem CID: 76158
DTXSID: DTXSID70183071
UNII: BD3UAE9GSQ
EC Number: 220-750-4
Nikkaji: J306.810B

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 172

실험 및 물리화학적 성질

Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

녹는점: 182 · 182-187 °C(lit.)
끓는 점: 337.7 · 337.7±42.0 °C(Predicted)
밀도: 1.936 · 1.936±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, stored under nitrogen
용해도: very faint turbidity in hot Methanol
물리적 상태: powder to crystal
산도 계수 (pKa): 5.11 · 5.11±0.23(Predicted)
색상: 흰색에서 거의 흰색
InChI: 1S/C8H6Br2O2/c1-4(11)5-2-6(9)8(12)7(10)3-5/h2-3,12H,1H3
InChIKey: ZNWPTJSBHHIXLJ-UHFFFAOYSA-N
SMILES: CC(=O)c1cc(Br)c(O)c(Br)c1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (95.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (95.1%)

안전 데이터

wgk: 3
ridadr: UN 1759 8/PG 3
HS 번호: 2914790090
risk_code: 22-34
hazard_code: C,Xi
safety_code: 26-36/37/39-45
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 OralSkin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야

일반 설명3′,5′-Dibromo-4′-hydroxyacetophenone (3,5-dibromo-4-hydroxyacetophenone) can be obtained from 4-hydroxyacetophenone, via bromination by N-bromosuccinimide in the presence of LiClO4-SiO2.