3-Bromopyridine (HCID 12286)

개요

3-bromopyridine is a monobromopyridine in which the bromo substituent is located at position 3.

이름 및 식별자

우선 이름: 3-Bromopyridine
IUPAC: 3-bromopyridine
현지명: 3-브로모피리딘
영어명: 3-Pyridyl bromide
분자식: C5H4BrN
분자량: 158

이름 및 동의어

3-BROMOPYRIDINE626-55-13-pyridyl bromidePyridine, 3-bromo-XMN8H2XE9HNSC-3974DTXSID9060819CHEBI:51575RefChem:93265DTXCID1043417210-952-05-bromopyridine

이름 더 보기

3-브로모피리딘피리딘,3-브로모3-Pvridyl bromideNSC 3974AURORA KA-8753-bromo-pyridin5-BROMO PYRIDINETIMTEC-BB SBB003998

3-bromo pyridine3-bromo-pyridineMFCD00006373C5H4BrN3-Bromopyridine, 99%CHEMBL5396433UNII-XMN8H2XE9Hm-bromopyridine

데이터베이스 식별자

CAS: 626-55-1
PubChem CID: 12286
DTXSID: DTXSID9060819
ChEMBL: CHEMBL5396433
ChEBI: CHEBI:51575
UNII: XMN8H2XE9H
EC Number: 210-952-0
Nikkaji: J95.608B

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 12.9 Å²
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

Chemical ClassesNitrogen Compounds -> Pyridines

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

LogP1.5

Flash Point51 °C

Vapor Pressure1.75 [mmHg]

Physical DescriptionNeedles; [Hawley] Colorless liquid; [MSDSonline]

물리화학적 성질

녹는점: -27 °C · -27°C
끓는 점: 173 °C · 173 °C (lit.)
밀도: 1.64 g/mL · 1.64 g/mL at 25 °C (lit.)
증기압: 1.64 hPa · 1.64hPa at 25℃
굴절률: 20 · n20/D 1.571(lit.)
인화점: 125 °F · 125 °F
저장 조건: 2 · Keep in dark place,Inert atmosphere,2-8°C
용해도: 31 g/L · 31g/L
물리적 상태: 액체
산도 계수 (pKa): 2.84 · 2.84(at 25℃)
Specific Gravity: 1.617 · 1.617
색상: 투명한 무색~노란색 또는 약간 갈색
수용성: 물에 용해됩니다(20°C에서 31g/L).
BRN: 105880 · 105880
Henry's Law Constant: 8.3 · 8.3×10-1 mol/(m3Pa) at 25℃, Ebert et al. (2023)
Dielectric constant: 9.85 · 9.8499999999999996
InChI: 1S/C5H4BrN/c6-5-2-1-3-7-4-5/h1-4H
InChIKey: NYPYPOZNGOXYSU-UHFFFAOYSA-N
SMILES: Brc1cccnc1
LogP: 1.694 · 1.694
NIST: 3 · Pyridine, 3-bromo-(626-55-1)
EPA: 3 · 3-Bromopyridine (626-55-1)

화학적 성질

CLEAR COLOURLESS TO YELLOW LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H226 (93.3%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, 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 · 3건

Chemical: Pyridine, 3-bromo-

Status: Active Update: 03-07-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19867

3-Bromopyridine: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin, eye, and respiratory tract irritant; [MSDSonline] Pyridine compounds are potential CNS depressants; [Ullmann] See Pyridine.

Hazard Classes and CategoriesFlam. Liq. 3 (93.3%)

독성 정보

Adverse EffectsNeurotoxin - Other CNS neurotoxin

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 3
HS 번호: 29333999
risk_code: 10-22-36/37/38-23/24/25-20/21/22
hazard_code: Xn,T,F,Xi
safety_code: 26-45-38-36/37/39-28A-16
포장분류: III
위험 등급: 6.1
F 고인화성물질: 8
위험 참고 사항: Toxic/Flammable/Irritant
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationPyridine, 3-bromo-: ACTIVE

응용 분야

용도Pyridine as novel substrate for regioselective oxygenation with aromatic peroxygenase from Agrocybe aegerita.

상·하류 제품 정보

상류 원료

하류 제품

3-Bromo-4-formylpyridine 3-알데히드피리딘 3-(3-Pyridinyl)benzoic acid Ethyl 3-(3-pyridyl)acrylate 3-페닐피페리딘 3-Pyridinepropionic acid 3-Pyridylboronic acid 3-Pyridineacrylic acid 5H-Pyrido[3,4-b]carbazole-5,11(10H)-dione 1533432-50-6 4-Bromo-3-methylpyridine 3-Trifluoromethylpyridine

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

镇江中智化学科技有限公司0511-15050866711; 15050866711 · [email protected]

추가 설명

정의ChEBI: A monobromopyridine in which the bromo substituent is located at position 3.

연결된 노트

불러오는 중…

3-브로모피리딘

기본 정보

개요