Ethyl 3-bromobenzoate

HCID 90488CAS 24398-88-7

기본 정보

표준 SMILES: CCOC(=O)c1cccc(Br)c1
InChIKey: QAUASTLEZAPQTB-UHFFFAOYSA-N
분자식: C9H9BrO2
평균 분자량: 229.07 g/mol
단동위원소 질량: 227.97859163

이름 및 식별자

우선 이름: Ethyl 3-bromobenzoate
IUPAC: ethyl 3-bromobenzoate
영어명: Ethyl 3-bromobenzoate
분자식: C9H9BrO2
분자량: 229.07

이름 및 동의어

Ethyl 3-bromobenzoate24398-88-7Benzoic acid, 3-bromo-, ethyl esterBenzoic acid, m-bromo-, ethyl esterEINECS 246-223-9QAUASTLEZAPQTB-UHFFFAOYSA-3-Bromobenzoic acid, ethyl esterDTXSID40179143RefChem:138681DTXCID70101634246-223-9InChI=1/C9H9BrO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3

이름 더 보기

Ethyl 3-broMobenzoRARECHEM AL BI 0052ETHYL 3-BROMOBENZOATethyle3-bromobenzoateEthyl 3-Bromobenzoate >Ethyl 3-bromobenzoate ,97%Ethyl 3-bromobenzoate, 98+%3-(Ethoxycarbonyl)bromobenzeneEthyl 3-broMobenzoate, 98% 25GR

QAUASTLEZAPQTB-UHFFFAOYSA-N3-Bromobenzoic Acid Ethyl EsterMFCD00013529m-Bromobenzoic acid, ethyl esterSCHEMBL245137B1808EN300-1240330ethyl-3-bromobenzoate

데이터베이스 식별자

CAS: 24398-88-7
PubChem CID: 90488
DTXSID: DTXSID40179143
UNII: U8S6ZA5URZ
EC Number: 246-223-9
Nikkaji: J104.745K

물성

구조 계산 물성

XLogP: 3.2
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

실험 및 물리화학적 성질

SpringerMaterials PropertiesDiamagnetic susceptibility

물리화학적 성질

끓는 점: 130 · 130-131 °C/12 mmHg (lit.)
밀도: 1.431 g/mL · 1.431 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.541(lit.)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 액체
색상: 무색의
BRN: 1867121 · 1867121
InChI: 1S/C9H9BrO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3
InChIKey: QAUASTLEZAPQTB-UHFFFAOYSA-N
SMILES: CCOC(=O)c1cccc(Br)c1

화학적 성질

clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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 CategoriesSkin Irrit. 2 (50%)

안전 데이터

wgk: 3
HS 번호: 29163990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26-24/25
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도Ethyl 3-bromobenzoate is used in the preparation of ethyl 3-ethynylbenzoate. It can react with p-tolyl-boronic acid, and obtain the 4'-methyl-biphenyl-3-carboxylic acid ethyl ester.

상·하류 제품 정보

상류 원료

하류 제품

3-(3-브로모-페닐)-3-옥소-프로피온산에틸에스테르 3-Bromobenzyl alcohol

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]

湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]

上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]

연결된 노트

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