2-브로모프로피온산메틸에스테르

Methyl 2-bromopropionate

HCID 95576CAS 5445-17-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)C(C)Br
InChIKey: ACEONLNNWKIPTM-UHFFFAOYSA-N
분자식: C4H7BrO2
평균 분자량: 167 g/mol
단동위원소 질량: 165.96294156

이름 및 식별자

우선 이름: Methyl 2-bromopropionate
IUPAC: methyl 2-bromopropanoate
현지명: 2-브로모프로피온산메틸에스테르
영어명: Methyl 2-bromopropionate
분자식: C4H7BrO2
분자량: 167

이름 및 동의어

Methyl 2-bromopropionate5445-17-0Methyl 2-bromopropanoatePropanoic acid, 2-bromo-, methyl esterMethyl dl-2-bromopropionate2-Bromopropionic acid methyl esterMethyl alpha-bromopropionateMethyl .alpha.-bromopropionatemethyl 2-bromo-propionatePropionic acid, 2-bromo-, methyl esterMETHYL-2-BROMOPROPIONATENSC-21973

이름 더 보기

2-브로모프로피온산메틸에스테르메틸2-브로모프로피오네이트메틸 2-브로모프로피온산methyl 2-bromoacrylate2-BROMOPROPIONATE2-Bromopropi2-MethylbroMide2-BromopropionicDL-a-bromopropionateMethyl 2-broMopropion

methyl2-bromopropionateEINECS 226-642-3MFCD00000143NSC 21973methyl bromopropanoatemethyl bromopropionatemethyl2-bromopropanoatemethyl 2-brompropanoate

데이터베이스 식별자

CAS: 5445-17-0
PubChem CID: 95576
DTXSID: DTXSID90884159
UNII: T9W59FP8ZN
EC Number: 226-642-3
Nikkaji: J125.368I

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 7
형식 전하: 0
복잡도: 72.1

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Halogenated Esters

Physical DescriptionClear light yellow liquid; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점: 177 · 177-180 °C(Solv: water (7732-18-5))
끓는 점: 51 °C/19 · 51 °C/19 mmHg (lit.)
밀도: 1.497 g/mL · 1.497 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.451(lit.)
인화점: 125 °F · 125 °F
저장 조건: 2 · Inert atmosphere,2-8°C
용해도: 물: 불용성
물리적 상태: 액체
색상: 무색투명~미황색
수용성: 섞일 수 없음
BRN: 1720592 · 1720592
InChI: 1S/C4H7BrO2/c1-3(5)4(6)7-2/h3H,1-2H3
InChIKey: ACEONLNNWKIPTM-UHFFFAOYSA-N
SMILES: COC(=O)C(C)Br
NIST: 2 · Propanoic acid, 2-bromo-, methyl ester(5445-17-0)
EPA: 2 · Methyl 2-bromopropionate (5445-17-0)

화학적 성질

clear colourless to slightly 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, P271, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Propanoic acid, 2-bromo-, methyl ester

Methyl 2-bromopropionate: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Sigma-Aldrich MSDS] See Methyl bromoacetate.

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 2920 8/PG 2
HS 번호: 29159080
risk_code: 10-34-36/37-36/37/38
hazard_code: C,Xi
safety_code: 16-26-27-36/37/39-45-37/39
포장분류: III
위험 등급: 3
기존화학 물질: KE-03709
Hazard Classifications: Eye Dam. 1Flam. Liq. 3Skin Corr. 1BSTOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationPropanoic acid, 2-bromo-, methyl ester: ACTIVE

응용 분야 · 1건

용도Methyl 2-bromopropionate was used as initiator during the synthesis of polymer brushes with single-walled carbon nanotubes as backbones. It was used as starting reagent for the synthesis of 2-18F-fluoropropionic acid, positron emission tomography imaging agent for prostate cancer.