기본 정보
- 표준 SMILES
Brc1ccccn1- InChIKey
IMRWILPUOVGIMU-UHFFFAOYSA-N- 분자식
- C5H4BrN
- 평균 분자량
- 158 g/mol
- 단동위원소 질량
- 156.95271123
개요
2-bromopyridine is a monobromopyridine.
이름 및 식별자
- 우선 이름
- 2-Bromopyridine
- IUPAC
- 2-bromopyridine
- 현지명
- 2-브로모피리딘
- 영어명
- 2-Bromopyridine
- 분자식
- C5H4BrN
- 분자량
- 158
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
109-04-6- PubChem CID
- 7973
- DTXSID
DTXSID6051564- ChEMBL
CHEMBL331374- ChEBI
CHEBI:51574- UNII
- 7Z7MLC4VD8
- EC Number
- 203-641-6
- Nikkaji
- J32.655K
물성
구조 계산 물성
- XLogP
- 1.4
- 극성 표면적
- 12.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 56
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 193 °C · 193°C
- 끓는 점
- 192 · 192-194 °C (lit.)
- 밀도
- 1.657 g/mL · 1.657 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.572(lit.)
- 인화점
- 130 °F · 130 °F
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 용해도
- 20 g/L · 20g/L
- 물리적 상태
- 액체
- 산도 계수 (pKa)
- 1 · pK1: 0.71(+1) (25°C)
- 색상
- 무색투명~엷은 갈색
- 수용성
- 물과 약간 섞임.
- BRN
- 105789 · 105789
- Henry's Law Constant
- 1.3 · 1.3×100 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
- Dielectric constant
- 24.02 · 24.02
- 안정성
- 안정적인. 가연성. 강한 산화제, 강산, 산성 염화물과 호환되지 않습니다.
- InChI
- 1S/C5H4BrN/c6-5-3-1-2-4-7-5/h1-4H
- InChIKey
- IMRWILPUOVGIMU-UHFFFAOYSA-N
- SMILES
- Brc1ccccn1
- LogP
- 1.42 · 1.42
- NIST
- 2 · Pyridine, 2-bromo-(109-04-6)
- EPA
- 2 · Pyridine, 2-bromo- (109-04-6)
화학적 성질
light yellow oily or dark red liquid. miscible with ethanol, ether, benzene and pyridine, still soluble in water.
안전 및 규제
GHS 분류
GHS Classification
Danger
H226 (16.7%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 60 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Pyridine, 2-bromo-
Status: Active Update: 16-06-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/18620
2-Bromopyridine: HSNO Approval: HSR006014 Approved with controls
독성 정보
EPA Provisional Peer-Reviewed Toxicity Values
2-Bromopyridine
PDF Document
2011
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- US3850000
- ridadr
- UN 2929 6.1/PG 2
- HS 번호
- 29333999
- risk_code
- 10-24/25-36/37/38-23/24/25-20/21/22
- hazard_code
- T,Xn,F
- safety_code
- 16-36/37-45-38-36/37/39-28A-26
- 포장분류
- II
- 위험 등급
- 6.1
- F 고인화성물질
- 8
- 위험 참고 사항
- Toxic
- Hazard Classifications
- Acute Tox. 2 DermalAcute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
화학 및 산업
용도 및 제조
응용 분야
용도2-Bromopyridine is a 2-halogenated pyridine used in the preparation of a variety of biologically active compounds such as antimalarial agents and beta-adrenoceptor agonist.
제조 방법
2-Bromopyridine is synthesized from 2-aminopyridine by bromination. In industrial production, hydrobromic acid (over 48%) is first cooled to below 0°C, 2-aminopyridine is slowly added, and then liquid bromine is added dropwise in a salt bath under freezing, and the rate of addition is to control the reaction temperature below -5°C appropriate. After adding, add sodium nitrite aqueous solution dropwise, control the reaction temperature to be below 0°C, stir for 20-30min, dropwise add 50% sodium hydroxide solution, extract the reaction solution with ether, wash with water, dry with anhydrous sodium sulfate, filter, and recover Diethyl ether, the residue was distilled under reduced pressure, and the 88°C-94°C/3333Pa fraction was collected to obtain the finished product of 2-bromopyridine with a yield of 83.8%.
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