메틸4-브로모-2-브로모메틸-벤조에이트

Methyl 4-bromo-2-(bromomethyl)benzoate

HCID 22031079

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 78471-43-9
표준 SMILES: COC(=O)c1ccc(Br)cc1CBr
InChIKey: SGFACFBLUAWICV-UHFFFAOYSA-N
분자식: C9H8Br2O2
평균 분자량: 307.97 g/mol
단동위원소 질량: 305.8891037

이름 및 식별자

우선 이름: Methyl 4-bromo-2-(bromomethyl)benzoate
IUPAC: methyl 4-bromo-2-(bromomethyl)benzoate
현지명: 메틸4-브로모-2-브로모메틸-벤조에이트
영어명: Methyl 4-bromo-2-bromomethyl-benzoate
분자식: C9H8Br2O2
분자량: 307.97

이름 및 동의어

78471-43-9Methyl 4-bromo-2-(bromomethyl)benzoateBENZOIC ACID, 4-BROMO-2-(BROMOMETHYL)-, METHYL ESTERDTXSID50621805RefChem:816231DTXCID40572559810-118-1Methyl 4-bromo-2-bromomethylbenzoateMETHYL 4-BROMO-2-BROMOMETHYL-BENZOATE4-Bromo-2-bromomethylbenzoic acid methyl esterMFCD041143194-Bromo-2-bromomethyl-benzoic acid methyl ester

이름 더 보기

메틸4-브로모-2-브로모메틸-벤조에이트4-bromo-2-bromethyl benzoateMethyl 2-bromomethyl-4-bromobenzoateMethyl4-bromo-2-(bromomethyl)benzoate,96%1-(4-BROMO-2-(BROMOMETHYL)PHENYL)ETHANONE

Methyl4-bromo-2-bromomethylbenzoateSCHEMBL2752854-BROMO-2-(BROMOMETHYL)BENZOIC ACID METHYL ESTERSCHEMBL30752924methyl alpha,5-dibromo-o-toluateSGFACFBLUAWICV-UHFFFAOYSA-NCS-D0141methyl 4bromo-2-bromomethylbenzoate

데이터베이스 식별자

CAS: 78471-43-9
PubChem CID: 22031079
DTXSID: DTXSID50621805
EC Number: 810-118-1

물성

구조 계산 물성

XLogP: 3
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 184

물리화학적 성질

녹는점: 76 · 76-78℃
끓는 점: 364.3 · 364.3±32.0 °C(Predicted)
밀도: 1.78 · 1.780±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: powder to crystal
색상: White to Light yellow to Light orange
수용성: 물에 약간 용해됩니다.
InChI: InChI=1S/C9H8Br2O2/c1-13-9(12)8-3-2-7(11)4-6(8)5-10/h2-4H,5H2,1H3
InChIKey: SGFACFBLUAWICV-UHFFFAOYSA-N
SMILES: C(OC)(=O)C1=CC=C(Br)C=C1CBr

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H290 (25%): May be corrosive to metals [Warning Corrosive to Metals]

P234, 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, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 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 CategoriesMet. Corr. 1 (25%)

안전 데이터

ridadr: UN 3261 8/PG III
HS 번호: 2916310090
포장분류: III
위험 등급: 8

화학 및 산업

응용 분야

용도Methyl 4-bromo-2-(bromomethyl)benzoate is used as pharmaceutical intermediate.

상·하류 제품 정보

상류 원료

하류 제품

2,6-Piperidinedione, 3-[5-(aminomethyl)-1,3-dihydro-1-oxo-2H-isoindol-2-yl]-5-Bromo-2-ethylisoindolin-1-one 5-Bromo-2-(2-methoxy-ethyl)-2,3-dihydro-isoindol-1-one 5-Bromo-2,3-dihydro-isoindol-1-one

공급사100 곳

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

ShanghaiFineBiotechCoLtd+8618717800556 18717800556 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

安徽勇晟医药科技有限公司181-3307-5798 18017383231 · [email protected]

上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]

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