Ethyl bromophenylacetate

HCID 97780CAS 2216-90-2

기본 정보

표준 SMILES: CCOC(=O)C(Br)c1ccccc1
InChIKey: BKTKLDMYHTUESO-UHFFFAOYSA-N
분자식: C10H11BrO2
평균 분자량: 243.1 g/mol
단동위원소 질량: 241.99424169

이름 및 식별자

우선 이름: Ethyl bromophenylacetate
IUPAC: ethyl 2-bromo-2-phenylacetate
영어명: Ethyl α-bromophenylacetate
분자식: C10H11BrO2
분자량: 243.1

이름 및 동의어

ethyl 2-bromo-2-phenylacetateEthyl alpha-bromophenylacetateEthyl bromophenylacetateBenzeneacetic acid, alpha-bromo-, ethyl esterDTXSID8041951Benzeneacetic acid, .alpha.-bromo-, ethyl ester0N3C9JY41XEINECS 220-735-2NSC-38807DTXCID6021951NSC 38807DL-.ALPHA.-BROMOPHENYLACETIC ACID ETHYL ESTER

이름 더 보기

ETHYL 2-(2-BROMOPHENYL)ACETATEETHYL A-BROMOPHENYLACETATEETHYL 2-BROMOPHENYLACETATEethyl à-bromophenylacetateethyleα-bromophenylacetateEthyl bromo(phenyl)acetateEthyl α-bromophenylacetate

RefChem:596144ETHYL BROMOPHENYLACETATE, (+-)-ETHYL (+-)-ALPHA-BROMOPHENYLACETATEETHYL (+-)-ALPHA-BROMOBENZENEACETATEETHYL (+-)-.ALPHA.-BROMOBENZENEACETATEETHYL (+-)-.ALPHA.-BROMOPHENYLACETATEDL-ALPHA-BROMOPHENYLACETIC ACID ETHYL ESTER220-735-2

데이터베이스 식별자

CAS: 2216-90-2、2882-19-1
PubChem CID: 97780
DTXSID: DTXSID8041951
ChEMBL: CHEMBL3187649
UNII: 0N3C9JY41X
EC Number: 218-701-7、220-735-2
Nikkaji: J62.890E

물성

구조 계산 물성

XLogP: 3
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 13
형식 전하: 0
복잡도: 164

물리화학적 성질

끓는 점: 89 · 89-92 °C/0.9 mmHg (lit.)
밀도: 1.389 g/mL · 1.389 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D >1.5390(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 액체
색상: 무색~황색으로 투명함
수용성: 물에 섞이거나 혼합하기 어렵지 않습니다.
InChI: 1S/C10H11BrO2/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChIKey: BKTKLDMYHTUESO-UHFFFAOYSA-N
SMILES: CCOC(=O)C(Br)c1ccccc1
EPA: Ethyl .alpha.-bromophenylacetate (2882-19-1)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.