Ethyl dibromoacetate

HCID 69237CAS 617-33-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)C(Br)Br
InChIKey: NIJGVVHCUXNSLL-UHFFFAOYSA-N
분자식: C4H6Br2O2
평균 분자량: 245.9 g/mol
단동위원소 질량: 243.87345363

개요

Acetic acid, dibromo-, ethyl ester has been reported in Asparagopsis armata with data available.

이름 및 식별자

우선 이름: Ethyl dibromoacetate
IUPAC: ethyl 2,2-dibromoacetate
영어명: Ethyl dibromoacetate
분자식: C4H6Br2O2
분자량: 245.9

이름 및 동의어

Ethyl dibromoacetateethyl 2,2-dibromoacetateU57B34JKE5Acetic acid, 2,2-dibromo-, ethyl esterNSC-8830Ethyl dibromo acetateDTXSID7060673Ethyl dibromoacetic acidRefChem:138910DTXCID8043103210-510-7NIJGVVHCUXNSLL-UHFFFAOYSA-N

이름 더 보기

dibromo-aceticaciethylesterEthyl dibromoacetate, tech., 83%Ethyl dibromoacetate, pract., 95%Ethyl dibromoacetate , 83%, tech.

617-33-4ethyldibromoacetateAcetic acid, dibromo-, ethyl esterDibromoacetic acid, ethyl esterMFCD00041718dibromo-acetic acid ethyl esterEINECS 210-510-7SCHEMBL297369

데이터베이스 식별자

CAS: 617-33-4
PubChem CID: 69237
DTXSID: DTXSID7060673
UNII: U57B34JKE5
EC Number: 210-510-7
Nikkaji: J134.575C

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: 3
무거운 원자 수: 8
형식 전하: 0
복잡도: 82.1

실험 및 물리화학적 성질

SpringerMaterials PropertiesOptical coefficient

물리화학적 성질

녹는점: 76 · 76-78°
끓는 점: 77 °C · 77 °C (12 mmHg)
밀도: 1.902 · 1.902
굴절률: 1.492 · 1.492-1.502
인화점: 76 · 76-78°C/12mm
저장 조건: RT, stored under nitrogen
용해도: 2 Cl2, · 헥산, 에테르, CH2Cl2, 아세톤, EtOAc, 에탄올에 용해됩니다.
EPA: Acetic acid, dibromo-, ethyl ester (617-33-4)

화학적 성질

clear colorless to slighlty brown liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (20%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (20%)

안전 데이터

tsca: TSCA listed
ridadr: 3265
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26

화학 및 산업

용도 및 제조

General Manufacturing InformationAcetic acid, 2,2-dibromo-, ethyl ester: ACTIVE

응용 분야

개요Ethyl dibromoacetate is used in preparation of α-bromo and α,α-dialkyl substituted esters; undergoes Reformatsky/Darzens reactions with aldehydes and ketones.

용도Ethyl dibromoacetate can be used to produce diphenoxy-acetic acid ethyl ester. It is used in organic synthesis.