3-브로모프로피온산메틸에스테르

Methyl 3-bromopropanoate

HCID 76934CAS 3395-91-3

부분 구조 검색 유사 구조 찾기

기본 정보

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

이름 및 식별자

우선 이름: Methyl 3-bromopropanoate
IUPAC: methyl 3-bromopropanoate
현지명: 3-브로모프로피온산메틸에스테르
영어명: Methyl 3-bromopropionate
분자식: C4H7BrO2
분자량: 167

이름 및 동의어

Methyl 3-bromopropanoateMethyl 3-bromopropionatePropanoic acid, 3-bromo-, methyl ester3-Bromopropionic acid methyl esterMethyl beta-bromopropionate3-Bromopropanoic acid methyl esterbeta-Bromopropionic acid, methyl esterPropionic acid, 3-bromo-, methyl esterNSC 3705UNII-Y803CH1P4WEINECS 222-247-5Methyl .beta.-bromopropionate

이름 더 보기

3-브로모프로피온산메틸에스테르메틸 3-브로모프로파이오네이트3-bromopropionateMethyl 3-bromopropioBromo-3-methylanilineMethyl BromopropionateMethyl 3-Bromopropiotemethyl3-bromopropanoate

Y803CH1P4WAI3-06001NSC-3705.beta.-Bromopropionic acid, methyl esterDTXSID6063010.BETA.-BROMOPROPIONIC ACID METHYL ESTERPropionic acid, 3-bromo-, methyl ester (8CI).BETA.-BROMOPROPIONIC ACID METHYL ESTER [MI]

데이터베이스 식별자

CAS: 3395-91-3
PubChem CID: 76934
DTXSID: DTXSID6063010
UNII: Y803CH1P4W
EC Number: 222-247-5
Nikkaji: J205.497C

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 7
형식 전하: 0
복잡도: 62.7

실험 및 물리화학적 성질

SpringerMaterials PropertiesDielectric constant

물리화학적 성질

녹는점: 75 °C · 75°C
끓는 점: 64 · 64-66 °C/18 mmHg (lit.)
밀도: 1.53 g/mL · 1.53 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.458(lit.)
인화점: 167 °F · 167 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 액체
색상: 무색투명~미황색
수용성: 섞일 수 없음
BRN: 1742949 · 1742949
InChI: 1S/C4H7BrO2/c1-7-4(6)2-3-5/h2-3H2,1H3
InChIKey: KQEVIFKPZOGBMZ-UHFFFAOYSA-N
SMILES: COC(=O)CCBr
NIST: 3 · Propanoic acid, 3-bromo-, methyl ester(3395-91-3)
EPA: 3 · Propanoic acid, 3-bromo-, methyl ester (3395-91-3)

화학적 성질

Very slightly yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationMethyl 3-bromopropionate: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: UA2451790
HS 번호: 29159080
risk_code: 22-36/37/38
hazard_code: Xn
safety_code: 26-37/39-24/25
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationPropanoic acid, 3-bromo-, methyl ester: ACTIVE

응용 분야

용도Methyl 3-bromopropionate was used in the synthesis of spiroanellated γ-lactones, pinacols and unprecedented 3-(1-hydroxycycloalkyl)-l-oxaspiro[n,m]alkan-2-ones.