4-브로모-2-하이드록시벤즈알데하이드

4-Bromo-2-hydroxybenzaldehyde

HCID 4066019CAS 22532-62-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=Cc1ccc(Br)cc1O
InChIKey: HXTWKHXDFATMSP-UHFFFAOYSA-N
분자식: C7H5BrO2
평균 분자량: 201.02 g/mol
단동위원소 질량: 199.94729

이름 및 식별자

우선 이름: 4-Bromo-2-hydroxybenzaldehyde
IUPAC: 4-bromo-2-hydroxybenzaldehyde
현지명: 4-브로모-2-하이드록시벤즈알데하이드
영어명: 4-Bromo-2-hydroxybenzaldehyde
분자식: C7H5BrO2
분자량: 201.02

이름 및 동의어

4-Bromo-2-hydroxybenzaldehyde22532-62-3DTXSID40398953RefChem:98082DTXCID70349812636-586-54-Bromosalicylaldehyde4-Bromo-2-hydroxy-benzaldehyde2-hydroxy-4-bromobenzaldehydeMFCD06252606SCHEMBL10065864-Bromo-2-hydroxybenzaldehyde, 97%

이름 더 보기

4-브로모-2-하이드록시벤즈알데하이드4-BroMo-2-hydroxybenzaldheydeD14044-Bromo-2-hydroxybenzaL4-Bromosalicylaldehyde >Hydroxy-4-bromobenzaldehyde4-Bromo-2-hydroxybenaldehyde3-bromo-3-hydroxybenzaldehyde

CS-W001114HY-W001114AB23661AC-5051BG-0702SY010339B3637W-201939

데이터베이스 식별자

CAS: 22532-62-3
PubChem CID: 4066019
DTXSID: DTXSID40398953
EC Number: 636-586-5
Nikkaji: J1.379.160K

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 127

물리화학적 성질

녹는점: 50 · 50-54 °C
끓는 점: 48 · 48-52 °C(Press: 0.04 Torr)
밀도: 1.737 · 1.737±0.06 g/cm3(Predicted)
인화점: 110 °C · 110 °C
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 메탄올에 용해됩니다.
물리적 상태: powder to crystal
산도 계수 (pKa): 7.21 · 7.21±0.10(Predicted)
색상: White to Light yellow to Light orange
InChI: InChI=1S/C7H5BrO2/c8-6-2-1-5(4-9)7(10)3-6/h1-4,10H
InChIKey: HXTWKHXDFATMSP-UHFFFAOYSA-N
SMILES: C(=O)C1=CC=C(Br)C=C1O

화학적 성질

Off-white powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (95.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (95.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H400 (93.2%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 6 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 (95.5%)；Eye Irrit. 2A (95.5%)；Aquatic Acute 1 (93.2%)

안전 데이터

wgk: 3
ridadr: UN 3077 9/PG 3
HS 번호: 2913000090
risk_code: 22-50
hazard_code: Xi,N,Xn
safety_code: 60
위험 등급: 9
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도4-Bromosalicylaldehyde is a substituted salicylaldehyde used in the synthesis of BIIB042, a γ-secretase modulator.

상·하류 제품 정보

상류 원료

하류 제품

4-Bromo-2-hydroxybenzoic acid 3-Carbethoxyumbeliferone 2-(벤질옥시)-4-브로모벤즈알데히드 Carbamic acid, N-[(4-bromo-2-hydroxyphenyl)methyl]-N-(2-hydroxyethyl)-, 1,1-dimethylethyl ester 1-(6-bromobenzofuran-2-yl)ethanone 1-(6-bromobenzofuran-2-yl)ethanone 3-아세틸-7-브로모-2H-크로멘-2-온

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

山东前元高分子材料有限公司18678041314 18765609661 · [email protected]

上海赫文斯化工有限公司15721252604 17321035817 · [email protected]

연결된 노트

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