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2,5-Dibromopyridine

HCID 69353
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기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
624-28-2
표준 SMILES
Brc1ccc(Br)nc1
InChIKey
ZHXUWDPHUQHFOV-UHFFFAOYSA-N
분자식
C5H3Br2N
평균 분자량
236.89 g/mol
단동위원소 질량
234.8632233

이름 및 식별자

우선 이름
2,5-Dibromopyridine
IUPAC
2,5-dibromopyridine
영어명
2,5-Dibromopyridine
분자식
C5H3Br2N
분자량
236.89

이름 및 동의어

2,5-Dibromopyridine624-28-2Pyridine, 2,5-dibromo-EINECS 210-839-6(2,5-DBrPyr)DTXSID00211452NSC 76597RefChem:82777DTXCID00133943210-839-6ZHXUWDPHUQHFOV-UHFFFAOYSA-N2,5-dibromo-pyridine
이름 더 보기
Dibromopyridine5-DibroMop2,5-DBr-Py5-DibroMopyridine2,5-Dibrompyridin2,5 dibromopyrdine
2,5-DIBROMOPYRIDINMFCD00006221NSC-765972,5-Dibromo Pyridine67987-57-93,6-DIBROMOPYRIDINENSC765972,5-dibrompyridine

데이터베이스 식별자

CAS
624-28-2
PubChem CID
69353
DTXSID
DTXSID00211452
UNII
V4W4Z4K29X
EC Number
210-839-6
Nikkaji
J79.763D

물성

구조 계산 물성보충 중

XLogP
2.6
극성 표면적
12.9 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
0
무거운 원자 수
8
형식 전하
0
복잡도
76.8

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Pyridines
Physical DescriptionDark brown powder; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점
92 · 92-95 °C (lit.)
끓는 점
235 °C · 235 °C / 772mmHg
밀도
2.0383 · 2.0383 (rough estimate)
굴절률
1.58 · 1.5800 (estimate)
인화점
62 ℃ · 62℃
저장 조건
Inert atmosphere,Room Temperature
용해도
클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa)
-1.57 · -1.57±0.10(Predicted)
물리적 상태
결정성 분말
색상
거의 흰색 또는 밝은 베이지색에서 갈색까지
수용성
불용성
BRN
109099 · 109099
InChI
InChI=1S/C5H3Br2N/c6-4-1-2-5(7)8-3-4/h1-3H
InChIKey
ZHXUWDPHUQHFOV-UHFFFAOYSA-N

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: No longer Valid Update: 17-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30054

2,5-Dibromopyridine: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk
3
ridadr
UN2811
HS 번호
29333999
risk_code
36/37/38-20/21/22
hazard_code
Xi,Xn
safety_code
26-37/39-36/37/39-36
위험 등급
IRRITANT
스토리지 클래스
11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

개요Pyridine and its derivatives are distributed widely by nature. Many plant constituents are as contain pyridine ring compounds in the structure of alkaloids, etc.; they are the bases producing many vital compounds and are indispensable raw materials during medicine, agricultural chemicals, dyestuff, tension-active agents, rubber ingredients, fodder additives, foodstuff additives, tackiness agents, etc. are produced.2,5-dibromo pyridine is an important intermediate of organic synthesis and is mainly used in medicine intermediate, organic synthesis, and organic solvent, can also be applicable to aspects such as DYE PRODUCTION, pesticide production and spices. Selective monolithiation of 2,5-dibromopyridine at either the 2-position or the 5-position is reported. Solvent and concentration strongly influence the selectivity. Coordinating solvents and higher concentration favour the 5-position, while non-coordinating solvents and lower concentration favour the 2-position[1].

용도2,5-Dibromopyridine (cas# 624-28-2) is a compound useful in organic synthesis.

제조 방법 · 1건

To synthesize 2,5-dibromopyridine, follow these steps:Add 2-amino-5-bromopyridine (13.0 kg) into a water-cooled solution at 10 °C.Slowly add 47% aqueous hydrogen bromide (37 L) to the mixture.Introduce liquid bromine (11 L) into the mixture.Maintain the reaction temperature below 10 °C.Prepare a solution of NaNO2 (16.1 kg) and H2O (19 L) and add it dropwise to the mixture while keeping the temperature between 0-5 °C.Stir the reaction mixture for 30 minutes.Treat the mixture with a solution of NaOH (28.0 kg) in water (30 L) at a controlled rate below 20-25 °C.Extract the reaction mixture with diethyl ether (3 × 40 L).Dry the organic layer with anhydrous Na2SO4.Remove the desiccant by filtration.Evaporate the resulting filtrate under reduced pressure to dryness.Suspend the residue in heptane (10 L).Collect the target product molecule, 2,5-dibromopyridine, by filtration.Synthesis method of 2,5-dibromopyridine

상·하류 제품 정보

상류 원료

2-Amino-5-bromopyridine브롬화수소

관련 반응

771건
반응 기록 만들기
HRID 2743 반응식
HRID 2743반응물로uspto-grants-1998_03
HRID 42013 반응식
HRID 42013반응물로uspto-grants-2013_09
HRID 42014 반응식
HRID 42014반응물로uspto-grants-2013_09
HRID 42017 반응식
HRID 42017반응물로uspto-grants-2013_09
HRID 42018 반응식
HRID 42018반응물로uspto-grants-2013_09
HRID 42020 반응식
HRID 42020반응물로uspto-grants-2013_09
HRID 42021 반응식
HRID 42021반응물로uspto-grants-2013_09
HRID 42022 반응식
HRID 42022반응물로uspto-grants-2013_09
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화합물 노트

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SMILES
C1(Br)=NC=C(Br)C=C1

화학적 성질

2,5-Dibromopyridine is an off-white crystalline solid. It is insoluble in water but soluble in strong polar organic solvents. It exhibits strong alkalinity.

아질산 나트륨
2,3,6-트리브로모피리딘
2,3,5-Tribromopyridine
2-Hydroxy-5-bromopyridine
1-Methyl-2-pyridone

하류 제품

2-Bromo-5-iodopyridine5-Bromo-2-pyridinecarboxylic Acid5-Bromopyridine-2-carbonyl chloride6-Methoxynicotinaldehyde2-(5-브로모-2-피리딜라조)-5-(디에틸아미노)페놀2-Bromopyridine-5-boronic acid5-(Trifluoromethyl)pyridine-2-carboxylic acid5-Bromo-2-(pyrrolidin-1-yl)pyridine6-(1-PYR롤리디닐)니코티날디하이드5-Bromo-3-pyridinecarboxaldehyde2-Trifluoromethyl-5-bromopyridine5-Bromo-2-iodopyridineTorezolid2,5-비스(트리플루오로메틸)피리딘