터트-부틸브로모아세드산

tert-Butyl bromoacetate

HCID 79177CAS 5292-43-3
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC(C)(C)OC(=O)CBr
InChIKey
BNWCETAHAJSBFG-UHFFFAOYSA-N
분자식
C6H11BrO2
평균 분자량
195.05 g/mol
단동위원소 질량
193.99424169

이름 및 식별자

우선 이름
tert-Butyl bromoacetate
IUPAC
tert-butyl 2-bromoacetate
현지명
터트-부틸브로모아세드산
영어명
tert-Butyl bromoacetate
분자식
C6H11BrO2
분자량
195.05

이름 및 동의어

tert-Butyl bromoacetate5292-43-3tert-butyl 2-bromoacetatet-Butyl bromoacetateBromoacetic Acid tert-Butyl EsterAcetic acid, bromo-, 1,1-dimethylethyl estertert-Butylbromoacetatet-butyl 2-bromoacetatebromo-acetic acid tert-butyl esterMFCD00000188Acetic acid, bromo-, tert-butyl esterLY42AF89SN
이름 더 보기
tert-뷰틸브로모아세트산브로모아세드산터트부틸에스테르브로모아세드산,1,1-데메틸에틸에스테르1,1-디메틸에틸브로모아세드산터트-부틸브로모아세드산터트-뷰틸브로모아세트산터트-뷰틸브로모아세트산tert-뷰틸 브로모아세트산tertiary butyl bromoacetate1-Butylbromoacetatetert-Butyl Bromoacetert-Butyl bromoacetate2-Methyl-2-propanyl bromoacetate
BrCH2C(O)OC(CH3)31,1-dimethylethyl 2-bromoacetate1,1-Dimethylethyl monobromoacetateAcetic acid, 2-bromo-, 1,1-dimethylethyl esterBromoacetic acid 1,1-dimethylethyl estertert-ButylBromoacetate-13Ct-butylbromoaceatet-butylbromoacteate

데이터베이스 식별자

CAS
5292-43-3
PubChem CID
79177
DTXSID
DTXSID2063763
UNII
LY42AF89SN
EC Number
226-133-6
Nikkaji
J254.923I

물성

구조 계산 물성

XLogP
1.9
극성 표면적
26.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
3
무거운 원자 수
9

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Halogenated Esters
SpringerMaterials PropertiesChemical shift
Physical DescriptionColorless liquid with a pungent odor; [Alfa Aesar MSDS]

물리화학적 성질

녹는점
44 · 44-47 °C
끓는 점
50 °C10 · 50 °C10 mm Hg(lit.)
밀도
1.338 · 1.338
증기압
1.62 hPa · 1.62hPa at 25℃
굴절률
20 · n20/D 1.445(lit.)
인화점
121 °F · 121 °F

화학적 성질

clear colorless to yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 92 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 22-01-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/18866

t-Butyl bromoacetate: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryCauses burns; Harmful by ingestion; [Alfa Aesar MSDS]
Hazard Classes and CategoriesFlam. Liq. 3 (100%)

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk
3
tsca
TSCA listed
ridadr
UN 1993 3/PG 3
HS 번호
29159080
risk_code
10-36/37/38
hazard_code
Xi,F

화학 및 산업

용도 및 제조

General Manufacturing InformationAcetic acid, 2-bromo-, 1,1-dimethylethyl ester: ACTIVE
응용 분야 · 3건

용도tert- 부틸 브로 모 아세테이트의 용도 : (2- 옥소 -4- 비닐 - 아제 티딘 -1- 일) - 아세트산 tert- 부틸 에스테르를 제조하는데 사용될 수있다.

용도tert-Butyl Bromoacetate is a halogenated t-butyl acetate commonly used as an alkylating agent. tert-Butyl Bromoacetate is used in the synthesis of collagenase inhibitors.

일반 설명tert-Butyl bromoacetate serves as building blocks during the synthesis of model N-substituted oligoglycines (peptoids) containing an N-linked lactoside side-chain.

제조 방법

Tert-butyl bromoacetate ester was synthesized using bromoacetic acid and isobutylene as raw materials,Amberlyst 15,a strong acidic cation exchange resin,as catalyst,and tert-butanol as modifier.

상·하류 제품 정보

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]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

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