4-브로모-노르말브틸산에틸에스테르

Ethyl 4-bromobutyrate

HCID 76300CAS 2969-81-5
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCOC(=O)CCCBr
InChIKey
XBPOBCXHALHJFP-UHFFFAOYSA-N
분자식
C6H11BrO2
평균 분자량
195.05 g/mol
단동위원소 질량
193.99424169

이름 및 식별자

우선 이름
Ethyl 4-bromobutyrate
IUPAC
ethyl 4-bromobutanoate
현지명
4-브로모-노르말브틸산에틸에스테르
영어명
Ethyl 4-bromobutyrate
분자식
C6H11BrO2
분자량
195.05

이름 및 동의어

Ethyl 4-bromobutyrate2969-81-5Butanoic acid, 4-bromo-, ethyl esterEINECS 221-005-6NSC 133462AI3-36601DTXSID80183845RefChem:595356DTXCID20106336Butanoic acid, 4bromo, ethyl esterButanoic acid, 4bromo, ethyl ester (9CI)Butanoic acid, 4-bromo-, ethyl ester (9CI)
이름 더 보기
4-브로모-노르말브틸산에틸에스테르에틸 4-브로모뷰티레이트4- broMobutanoate4-Bromobutanoic acid, ethyl ester4- broMo ethyl4-bromohexanoate4-BromobutylesterEthyl 4-broMobutyrEthl 4-broMobutyrate
221-005-6Ethyl 4-bromobutanoate4-Bromobutyric Acid Ethyl EsterMFCD00000259ethyl4-bromobutyrate4-Bromo-butyric acid ethyl esterBrCH2CH2CH2C(O)OC2H54-bromobutanoic acid ethyl ester

데이터베이스 식별자

CAS
2969-81-5
PubChem CID
76300
DTXSID
DTXSID80183845
UNII
EZ8TY5JSD5
EC Number
221-005-6
Nikkaji
J26.260I

물성

구조 계산 물성

XLogP
1.5
극성 표면적
26.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
5
무거운 원자 수
9

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Halogenated Esters
SpringerMaterials PropertiesOptical coefficient
Physical DescriptionClear colorless liquid; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점
98 · 98-100 °C
끓는 점
80 · 80-82 °C/10 mmHg (lit.)
밀도
1.363 g/mL · 1.363 g/mL at 25 °C (lit.)
굴절률
20 · n20/D 1.456(lit.)
인화점
195 °F · 195 °F
저장 조건
Keep in dark place,Inert atmosphere,Room temperature

화학적 성질

clear colorless to yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 171 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: Butanoic acid, 4-bromo-, ethyl ester

Status: Active Update: 13-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23781

ETHYL 4-BROMOBUTYRATE: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See Methyl dichloroacetate.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk
3
HS 번호
2915900090
risk_code
36/37/38-22
hazard_code
Xi
safety_code
26-36-37/39
기존화학 물질
KE-13554

화학 및 산업

응용 분야 · 2건

개요Ethyl 4-bromobutyrate is a colourless volatile liquid organic or biological reagent. It is used in organic synthesis to prepare 4-bromobutyl ester, 4-bromobutyl amide and 4-bromobutyl ether. It is also used in the synthesis of poly(2,6-dimethyl-1,4-epoxyphenyl ether) and isotopic thieno[2,3-b]azepin-4-one thieno[2,3-b]-azepin-4-one with antitumour activity. In the biological field, it has been used in enzyme-linked immunosorbent assays for zilpaterol.

용도Ethyl 4-bromobutyrate is used as a building block for the preparation of firefly luciferase inhibitor-conjucated peptide derivatives. It finds application in the synthesis of poly(2,6,-dimethyl-1,4-phehylene oxide) and thieno(2,3-b)-azepin-4-ones.

상·하류 제품 정보

공급사50 곳

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