Ethyl trans-4-Bromocinnamate

HCID 688115

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 24393-53-1
표준 SMILES: CCOC(=O)/C=C/c1ccc(Br)cc1
InChIKey: YOOKYIPLSLPRTC-VMPITWQZSA-N
분자식: C11H11BrO2
평균 분자량: 255.11 g/mol

이름 및 식별자

우선 이름: Ethyl trans-4-Bromocinnamate
IUPAC: ethyl (E)-3-(4-bromophenyl)prop-2-enoate
영어명: Ethyl trans-4-bromocinnamate
분자식: C11H11BrO2
분자량: 255.11

이름 및 동의어

Ethyl trans-4-bromocinnamate2-Propenoic acid, 3-(4-bromophenyl)-, ethyl ester, (2E)-RefChem:596424628-225-524393-53-1(E)-Ethyl 3-(4-bromophenyl)acrylateEthyl 3-(4-bromophenyl)acrylateethyl (E)-3-(4-bromophenyl)acrylateethyl (E)-3-(4-bromophenyl)prop-2-enoateMFCD00012226Ethyl-3-(4-bromophenyl)acrylate2-Propenoic acid, 3-(4-bromophenyl)-, ethyl ester

이름 더 보기

ETHYL 4-BROMOCINNAMATE-Ethyl 3-(4-bromophenyl)Ethyl trans-4-bromociamateEthyl 4-bromocinnamate, 98 %4-Bromocinnamic acid ethyl esterEthyl trans-4-bromocinnamate 98%

ethyl (2E)-3-(4-bromophenyl)prop-2-enoateEthyl 3-(4-bromophenyl)-2-propenoateethyl (2E)-3-(4-bromophenyl)acrylateethyl p-bromocinnamateNSC636702NSC 636702ethyl (E)-4-bromocinnamateethyl-trans-4-bromocinnamate

데이터베이스 식별자

CAS: 24393-53-1
PubChem CID: 688115
ChEMBL: CHEMBL4877242
EC Number: 628-225-5
Nikkaji: J2.183.748B、J267.223E

물성

구조 계산 물성

XLogP: 3.7
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 14
형식 전하: 0
복잡도: 205

물리화학적 성질

끓는 점: 180 °C/18 · 180 °C/18 mmHg (lit.)
밀도: 1.359 g/mL · 1.359 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.596(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
물리적 상태: liquid
InChI: 1S/C11H11BrO2/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-8H,2H2,1H3/b8-5+
InChIKey: YOOKYIPLSLPRTC-VMPITWQZSA-N
SMILES: CCOC(=O)\C=C\c1ccc(Br)cc1

화학적 성질

Clear yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.