2,3-디브로모푸란-5-카르복실산

4,5-Dibromofuran-2-carboxylic acid

HCID 4194832

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 2434-03-9
표준 SMILES: O=C(O)c1cc(Br)c(Br)o1
InChIKey: BHUVICYZDBUMIU-UHFFFAOYSA-N
분자식: C5H2Br2O3
평균 분자량: 269.88 g/mol
단동위원소 질량: 267.83706812

이름 및 식별자

우선 이름: 4,5-Dibromofuran-2-carboxylic acid
IUPAC: 4,5-dibromofuran-2-carboxylic acid
현지명: 2,3-디브로모푸란-5-카르복실산
영어명: 2,3-Dibromofuran-5-carboxylic acid
분자식: C5H2Br2O3
분자량: 269.88

이름 및 동의어

4,5-dibromofuran-2-carboxylic AcidRefChem:507635628-515-14,5-Dibromo-2-furoic acid2434-03-92,3-Dibromofuran-5-carboxylic acid4,5-Dibromo-2-furancarboxylic acidMFCD000923112-Furancarboxylicacid, 4,5-dibromo-2-Furancarboxylic acid, 4,5-dibromo-SCHEMBL274316DTXSID60400663

이름 더 보기

2,3-디브로모푸란-5-카르복실산4,5-Dibromo-2-furoicacid,97%4,5-DibroMo-2-furoic acid 97%

LCZC2596BHUVICYZDBUMIU-UHFFFAOYSA-BHUVICYZDBUMIU-UHFFFAOYSA-N4,5-dibromofuran-2-carboxylicAcid4,5-Dibromo-2-furoic acid, 97%SBB0691024,5-dibromo-furan-2-carboxylic acidAKOS005264334

데이터베이스 식별자

CAS: 2434-03-9
PubChem CID: 4194832
DTXSID: DTXSID60400663
EC Number: 628-515-1
Nikkaji: J80.485A

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 50.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 150

물리화학적 성질

녹는점: 169 · 169-173 °C
끓는 점: 328.7 · 328.7±42.0 °C(Predicted)
밀도: 2.304 · 2.304±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: solid
산도 계수 (pKa): 2.58 · 2.58±0.16(Predicted)
BRN: 129312 · 129312
InChI: InChI=1S/C5H2Br2O3/c6-2-1-3(5(8)9)10-4(2)7/h1H,(H,8,9)
InChIKey: BHUVICYZDBUMIU-UHFFFAOYSA-N
SMILES: O1C(Br)=C(Br)C=C1C(O)=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (90.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (90.9%)

안전 데이터

wgk: 3
HS 번호: 2932190090
risk_code: 22-36/37/38
hazard_code: Xn
safety_code: 26-36

화학 및 산업

응용 분야 · 1건

용도2,3-Dibromofuran-5-carboxylic acid is used in a study of the effect of a furanyl halo-substituent on the intramolecular Diels-Alder reaction between the furan ring system and a pendant allylamide. The yield of the cycloaddition is improved with a C-5 bromide vs -chloro or -unsubstituted furan.