기본 정보
- 표준 SMILES
O=C(CBr)c1ccccc1O- InChIKey
SGPKEYSZPHMVNI-UHFFFAOYSA-N- 분자식
- C8H7BrO2
- 평균 분자량
- 215.04 g/mol
- 단동위원소 질량
- 213.96294156
이름 및 식별자
- 우선 이름
- 2-Bromo-2'-hydroxyacetophenone
- IUPAC
- 2-bromo-1-(2-hydroxyphenyl)ethanone
- 영어명
- 2-Bromo-2′-hydroxyacetophenone
- 분자식
- C8H7BrO2
- 분자량
- 215.04
이름 및 동의어
2-Bromo-2'-hydroxyacetophenone2-Bromo-1-(2-hydroxyphenyl)ethanoneRefChem:466123626-439-32491-36-32-Hydroxyphenacyl bromideEthanone, 2-bromo-1-(2-hydroxyphenyl)-2-bromo-1-(2-hydroxyphenyl)ethan-1-oneMFCD017275702-bromo-1-(2-hydroxy-phenyl)-ethanone2-Bromo-2'-hydroxylacetophenone4-08-00-00329 (Beilstein Handbook Reference)
이름 더 보기
2-AMINO-3'2-Bromo-2′Cyclohexane Impurity 42-Bromo-2’-hydroxyacetophenone2-(2-bromoacetyl)hydroxybenzene2-Bromo-2'-hydroxyacetophenone 97%
2-Bromo-2'-hydroxyacetophenone, 97%EN300-49229BRN 0637210FT-0652594SCHEMBL17011422-Bromo-2 inverted exclamation mark -hydroxyacetophenone2-Bromo-2 inverted exclamation marka-hydroxyacetophenoneSCHEMBL29845700
데이터베이스 식별자
- CAS
2491-36-3- PubChem CID
- 200671
- DTXSID
DTXSID90179618- EC Number
- 626-439-3
- Nikkaji
- J1.630.673H
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 147
물리화학적 성질
- 녹는점
- 44 · 44-48 °C(lit.)
- 끓는 점
- 152 · 152-158 °C(Press: 18 Torr)
- 밀도
- 1.622 · 1.622±0.06 g/cm3(Predicted)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- 용해도
- 클로로포름, 메탄올에 용해됨
- 산도 계수 (pKa)
- 7.63 · 7.63±0.30(Predicted)
- 물리적 상태
- 고체
- 색상
- 노란색
- InChI
- 1S/C8H7BrO2/c9-5-8(11)6-3-1-2-4-7(6)10/h1-4,10H,5H2
- InChIKey
- SGPKEYSZPHMVNI-UHFFFAOYSA-N
- SMILES
- Oc1ccccc1C(=O)CBr
화학적 성질
Off-White Powder
안전 및 규제
GHS 분류
GHS Classification
Danger
H302 (100%): 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 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- 3
- rtecs
- KM5556400
- ridadr
- UN 3263 8/PG 2
- 독성
- mouse,LD50,oral,821mg/kg (821mg/kg),BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)LUNGS, THORAX, OR RESPIRATION: DYSPNEABEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD,Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 183, 1992.
- HS 번호
- 29147000
- risk_code
- 22-34
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- 포장분류
- II
- 위험 등급
- 8
- 위험 참고 사항
- Corrosive/Lachrymatory/Keep Cold
- Hazard Classifications
- Acute Tox. 4 OralSkin Corr. 1B
- 스토리지 클래스
- 8A - Combustible corrosive hazardous materials
화학 및 산업
응용 분야
용도2-Bromo-2′-hydroxyacetophenone is used as a pharmaceutical intermediate.
상·하류 제품 정보
상류 원료
하류 제품
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