Bromomethyl 3-methoxyphenyl ketone

HCID 101294CAS 5000-65-7

기본 정보

표준 SMILES: COc1cccc(C(=O)CBr)c1
InChIKey: IOOHBIFQNQQUFI-UHFFFAOYSA-N
분자식: C9H9BrO2
평균 분자량: 229.07 g/mol
단동위원소 질량: 227.97859163

이름 및 식별자

우선 이름: Bromomethyl 3-methoxyphenyl ketone
IUPAC: 2-bromo-1-(3-methoxyphenyl)ethanone
영어명: 3'-METHOXYPHENACYL BROMIDE
분자식: C9H9BrO2
분자량: 229.07

이름 및 동의어

Bromomethyl 3-methoxyphenyl ketoneDTXSID60198179RefChem:570365DTXCID40120670225-666-12-Bromo-1-(3-methoxyphenyl)ethanone5000-65-72-Bromo-3'-methoxyacetophenone3'-Methoxyphenacyl bromidem-Methoxyphenacyl bromide3-Methoxyphenacyl bromide2-Bromo-1-(3-Methoxyphenyl)Ethan-1-One

이름 더 보기

NSC 405833AKOS BBS-000038693'-MethoxyphenacyLm-Mehtoxyphenacyl Bromide3'-MethoxyphenacylBromide>

3-(Bromoacetyl)anisoleMFCD000001993-methoxyphenacylbromideCQB4BZ4WTKNSC-4058332-bromo-1-(3-methoxy-phenyl)ethanone2-Bromo-1-(3-methoxyphenyl)-ethanone2-bromo-1-(3-methoxy-phenyl)-ethanone

데이터베이스 식별자

CAS: 5000-65-7
PubChem CID: 101294
DTXSID: DTXSID60198179
UNII: CQB4BZ4WTK
EC Number: 225-666-1
Nikkaji: J203.235J

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 159

물리화학적 성질

녹는점: 60 · 60-62 °C(lit.)
끓는 점: 215.8 °C · 215.8°C (rough estimate)
밀도: 1.4921 · 1.4921 (rough estimate)
굴절률: 1.55 · 1.5500 (estimate)
저장 조건: 2 · 2-8°C
용해도: 메탄올에 용해됨
물리적 상태: 결정성 분말
색상: 흰색에서 약간 황록색
BRN: 510128 · 510128
InChI: InChI=1S/C9H9BrO2/c1-12-8-4-2-3-7(5-8)9(11)6-10/h2-5H,6H2,1H3
InChIKey: IOOHBIFQNQQUFI-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC=CC(OC)=C1)CBr
NIST: 2 · 2-Bromo-3'-methoxyacetophenone(5000-65-7)

화학적 성질

WHITE TO SLIGHTLY YELLOW-GREEN CRYST. POWDER

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1B (100%)

안전 데이터

wgk: 3
ridadr: UN 3261 8/PG 2
HS 번호: 29147000
risk_code: 34-36/37-22
hazard_code: C
safety_code: 26-27-28-36/37/39-45-34
포장분류: III
위험 등급: 8
Hazard Classifications: Eye Dam. 1Skin Corr. 1BSTOT SE 3
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야

용도Derivatizing reagent.

제조 방법

Obtained by reaction of bromine with 3-methoxyacetophenone in chloroform at 0° for 3 h (88%).

상·하류 제품 정보

상류 원료

하류 제품

3-Methoxyacetophenone 5-(4-(2-(3-METHOXYPHENYL)-2-OXOETHOXY)BENZYL)THIAZOLIDINE-2,4-DIONE 3-메톡시벤조일아세토니트릴 2-브로모-3'-하이드록시아세토펜온 Propanedioic acid, 2-(acetylamino)-2-[2-(3-methoxyphenyl)-2-oxoethyl]-, 1,3-diethyl ester 3-METHOXYPHENYLGLYOXAL HYDRATE 4-(3-메톡시페닐)옥사졸

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

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]

湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]

河南赢创生物科技有限公司16650615803 · [email protected]

연결된 노트

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