Methyl 4-(2-bromoethoxy)benzoate

HCID 1898264

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 56850-91-0
표준 SMILES: COC(=O)c1ccc(OCCBr)cc1
InChIKey: RVBJPYYTGUCVFR-UHFFFAOYSA-N
분자식: C10H11BrO3
평균 분자량: 259.1 g/mol
단동위원소 질량: 257.98916

이름 및 식별자

우선 이름: Methyl 4-(2-bromoethoxy)benzoate
IUPAC: methyl 4-(2-bromoethoxy)benzoate
영어명: Methyl 4-(2-bromoethoxy)benzenecarboxylate
분자식: C10H11BrO3
분자량: 259.1

이름 및 동의어

methyl 4-(2-bromoethoxy)benzoate56850-91-0DTXSID40365504RefChem:355338DTXCID70316544Methyl 4-(2-bromoethoxy)benzenecarboxylateMFCD01877551Benzoic acid,4-(2-bromoethoxy)-, methyl esterSCHEMBL63216RVBJPYYTGUCVFR-UHFFFAOYSA-Nmethyl 4-(2-bromoethoxy)-benzoateGCA85091

이름 더 보기

SBB102131STL326170AKOS005072755CS-W018361GA-08082-(4-methoxycarbonylphenoxy)ethyl bromideSY337246Methyl 4-(2-broMoethoxy)benzoate, 97+%

데이터베이스 식별자

CAS: 56850-91-0
PubChem CID: 1898264
DTXSID: DTXSID40365504
EC Number: 676-604-9

물성

구조 계산 물성

XLogP: 3
극성 표면적: 35.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 5
무거운 원자 수: 14
형식 전하: 0
복잡도: 176

물리화학적 성질

녹는점: 67 · 67-69
끓는 점: 333.4 · 333.4±22.0 °C(Predicted)
밀도: 1.431 · 1.431±0.06 g/cm3(Predicted)
물리적 상태: 고체

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.