α-브로모부틸산에틸

Butanoic acid, 2-bromo-, ethyl ester

HCID 79039CAS 533-68-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)C(Br)CC
InChIKey: XIMFCGSNSKXPBO-UHFFFAOYSA-N
분자식: C6H11BrO2
평균 분자량: 195.05 g/mol
단동위원소 질량: 193.99424169

이름 및 식별자

우선 이름: Butanoic acid, 2-bromo-, ethyl ester
IUPAC: ethyl 2-bromobutanoate
현지명: α-브로모부틸산에틸
영어명: DL-Ethyl 2-bromobutyrate
분자식: C6H11BrO2
분자량: 195.05

이름 및 동의어

Ethyl 2-bromobutyrate533-68-6Butanoic acid, 2-bromo-, ethyl ester2-Bromobutyric Acid Ethyl EsterEthyl alpha-bromobutyrateEthyl .alpha.-bromobutyrateUNII-SB2GD08LJASB2GD08LJANSC-8855EINECS 208-574-6AI3-52371Ethyl .alpha.-bromo-n-butyrate

이름 더 보기

DL-에틸2-브로모부티레이트α-브로모부틸산에틸에틸2-브로모뷰티레이트에틸 2-브로모뷰티레이트Ethyl 2-bromobutanoate2- broMobutanoateEthyl 2-broMobutyr2-ethyl bromobutyrateethyl2-bromobutanoateEthy1-2-bromobutyrateα-ethyl bromobutyrate*Tramadol Impurity 13

DTXSID30870591EC 208-574-6.alpha.-Bromo-n-butyric acid ethyl esterRefChem:122085Ethyl alpha-bromo-n-butyrateDTXCID10818299alpha-Bromo-n-butyric acid ethyl esterETHYL ALPHA-BROMOBUTYRATE, (+-)-

데이터베이스 식별자

CAS: 533-68-6
PubChem CID: 79039
DTXSID: DTXSID30870591
UNII: SB2GD08LJA
EC Number: 208-574-6
Nikkaji: J125.370K

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 9
형식 전하: 0
복잡도: 93.1

물리화학적 성질

녹는점: -4 °C · -4°C
끓는 점: 177 °C · 177 °C (lit.)
밀도: 1.321 g/mL · 1.321 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.447(lit.)
인화점: 137 °F · 137 °F
저장 조건: 2 · 2-8°C
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
수용성: 물에 불용성. 알코올 및 에테르와 혼합 가능
Merck: 14 · 14,1413
BRN: 969841 · 969841
Dielectric constant: 8 · 8.0(20℃)
InChIKey: XIMFCGSNSKXPBO-UHFFFAOYSA-N
NIST: 2 · Butanoic acid, 2-bromo-, ethyl ester(533-68-6)
EPA: 2 · Ethyl 2-bromobutyrate (533-68-6)

화학적 성질

clear colorless to yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H226 (96%): Flammable liquid and vapor [Warning Flammable liquids]

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

Aggregated GHS information provided per 50 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 27-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/5938

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

Hazard Classes and CategoriesFlam. Liq. 3 (96%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 3
HS 번호: 29159080
risk_code: 22-37/38-41-36/37/38
hazard_code: Xn,Xi
safety_code: 26-39-24/25-23
포장분류: III
위험 등급: 3
F 고인화성물질: 8-19

화학 및 산업

용도 및 제조

General Manufacturing InformationButanoic acid, 2-bromo-, ethyl ester: ACTIVE

응용 분야

용도Ethyl 2-bromobutyrate, is an important raw material and an intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff. It is also used for agrochemical and pharmaceutical intermediate.