Methyl 2-(4-bromophenyl)acetate

HCID 316783CAS 41841-16-1

기본 정보

표준 SMILES: COC(=O)Cc1ccc(Br)cc1
InChIKey: QHJOWSXZDCTNQX-UHFFFAOYSA-N
분자식: C9H9BrO2
평균 분자량: 229.07 g/mol
단동위원소 질량: 227.97859163

이름 및 식별자

우선 이름: Methyl 2-(4-bromophenyl)acetate
IUPAC: methyl 2-(4-bromophenyl)acetate
영어명: Methyl 4-bromophenylacetate
분자식: C9H9BrO2
분자량: 229.07

이름 및 동의어

methyl 2-(4-bromophenyl)acetateRefChem:813486688-432-141841-16-1Methyl 4-Bromophenylacetate4-Bromophenylacetic acid methyl esterMethyl (4-bromophenyl)acetate4-Bromophenyl acetic acid methyl esterMFCD001268442-(4-bromophenyl)acetic acid methyl esterMethyl 4-bromobenzeneacetatemethyl2-(4-bromophenyl)acetate

이름 더 보기

NSC 245163ASISCHEM D13381Aprocitentan Impurity 32Methyl 4-bromophenylaceta...4 - broMobenzene Methyl acetateMethyl 4-BroMophenylacetate, 97+%methyl 2-(4-bromophenyl)ethanoate

CS-M1488AB3932NSC-245163(4-bromophenyl)-acetic acid methylester4-Bromobenzeneacetic acid, methyl esterSY021204Z18830099(4-bromophenyl)acetic acid methyl ester

데이터베이스 식별자

CAS: 41841-16-1
PubChem CID: 316783
DTXSID: DTXSID80311762
UNII: G3YH3999ME
EC Number: 688-432-1
Nikkaji: J472.791F

물성

구조 계산 물성

XLogP: 2.5
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: 151

물리화학적 성질

녹는점: 113 · 113-114 °C
끓는 점: 138 · 138-140 °C(Press: 13 Torr)
밀도: 1.445 · 1.445±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름, 에틸아세테이트에 용해됨
물리적 상태: 기름
색상: 무색~담황색 투명
InChI: InChI=1S/C9H9BrO2/c1-12-9(11)6-7-2-4-8(10)5-3-7/h2-5H,6H2,1H3
InChIKey: QHJOWSXZDCTNQX-UHFFFAOYSA-N
SMILES: C1(CC(OC)=O)=CC=C(Br)C=C1

화학적 성질

Pale Yellow Oil

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 14.3% (1 of 7) of reports.

Warning

H302 (28.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 11-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24482

Hazard Classes and CategoriesAcute Tox. 4 (28.6%)

안전 데이터

HS 번호: 29163990
hazard_code: Xi
위험 등급: IRRITANT

화학 및 산업

응용 분야

용도Methyl 4-Bromophenylacetate (cas# 41841-16-1) is a compound useful in organic synthesis.

상·하류 제품 정보

상류 원료

요오드 메탄 1H-이미다졸-1-카르복실산,메틸에스테르(9CI)메틸알콜 4-브로모페놀아세테이트 4-브로모페닐아세트산

하류 제품

2-[1-(4-Bromophenyl)-1-methylethyl]-4,4-dimethyl-4,5-dihydrooxazoline 4-BOC-아미노메틸페닐아세트산 (4-메톡시카르보닐메틸페닐)붕산 1,3-비스(4-브로모페닐)프로파논 2-(4-브로모페닐)-프로판디오익산,1,3-메틸디에틸에스테르 4-(2-Hydroxyethyl)benzonitrile 2H-Pyran-4-carboxylic acid, 4-(4-bromophenyl)tetrahydro-, methyl ester 메틸2-(4-브로모페닐)-2-옥소아세테이트

공급사50 곳

常州帝通化工有限公司+86-0519-88298848 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

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

苏州隆泰医药科技有限公司512-66368267 18979547572 · [email protected]

Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]

연결된 노트

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