Ethyl 2-bromoisovalerate

HCID 79068CAS 609-12-1

기본 정보

표준 SMILES: CCOC(=O)C(Br)C(C)C
InChIKey: WNFUWONOILPKNX-UHFFFAOYSA-N
분자식: C7H13BrO2
평균 분자량: 209.08 g/mol
단동위원소 질량: 208.00989176

이름 및 식별자

우선 이름: Ethyl 2-bromoisovalerate
IUPAC: ethyl 2-bromo-3-methylbutanoate
영어명: Ethyl 2-bromo-3-methylbutyrate
분자식: C7H13BrO2
분자량: 209.08

이름 및 동의어

Ethyl 2-bromoisovalerate609-12-1Ethyl 2-bromo-3-methylbutanoateEthyl 2-bromo-3-methylbutyrateButanoic acid, 2-bromo-3-methyl-, ethyl esterEthyl .alpha.-bromoisovalerateEthyl alpha-bromoisovaleratealpha-Bromoisovaleric acid ethyl esterButyric acid, 2-bromo-3-methyl-, ethyl ester2-BROMO-3-METHYLBUTANOIC ACID ETHYL ESTERUNII-4J9877130MNSC 8866

이름 더 보기

TIMTEC-BB SBB005789Ethyl α-broMo isoaMylETHYL A-BROMOISOVALERATE2-broMoisovalerate Ethyl2-broMo-ethyl isovalerateEthyl2-bromoisovalerate,97%

NSC-8866EINECS 210-178-3.alpha.-Bromoisovaleric acid ethyl esterAI3-523744J9877130MDTXSID20870681ETHYL 2-BROMOISOVALERATE [WHO-DD]RefChem:138577

데이터베이스 식별자

CAS: 609-12-1
PubChem CID: 79068
DTXSID: DTXSID20870681
UNII: 4J9877130M
EC Number: 210-178-3
Nikkaji: J134.746B

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 10
형식 전하: 0
복잡도: 112

실험 및 물리화학적 성질

SpringerMaterials PropertiesOptical coefficient

물리화학적 성질

끓는 점: 77 °C · 77 °C (12 mmHg)
밀도: 1 · 1,276 g/cm3
굴절률: 1.4485 · 1.4485-1.4505
인화점: 65 °C · 65 °C
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 클로로포름(약간), 에틸아세테이트(약간), 헥산(약간)에 용해됨
물리적 상태: 분말, 결정 또는 플레이크
색상: 짙은 회색
BRN: 1099039 · 1099039
NIST: 2 · Butanoic acid, 2-bromo-3-methyl-, ethyl ester(609-12-1)
EPA: 2 · Ethyl 2-bromoisovalerate (609-12-1)

화학적 성질

clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (85.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.