3-Bromopyridine (HCID 12286)

Überblick

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

Namen und Bezeichner

Bevorzugter Name: 3-Bromopyridine
IUPAC: 3-bromopyridine
Lokaler Name: 3-Brompyridin
Englischer Name: 3-Pyridyl bromide
Summenformel: C5H4BrN
Molmasse: 158

Namen und Synonyme

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

Weitere Namen anzeigen

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

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,6
Polarare Oberfläche (TPSA): 12,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 7
Formalladung: 0
Komplexität: 56

Experimentelle und physikochemische Eigenschaften

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]

Physikochemische Eigenschaften

Schmelzpunkt: -27 °C · -27°C
Siedepunkt: 173 °C · 173 °C (lit.)
Dichte: 1.64 g/mL · 1.64 g/mL at 25 °C (lit.)
Dampfdruck: 1.64 hPa · 1.64hPa at 25℃
Brechungsindex: 20 · n20/D 1.571(lit.)
Flammpunkt: 125 °F · 125 °F
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
Löslichkeit: 31 g/l · 31g/l
Aggregatzustand: Liquid
pka: 2.84 · 2.84(at 25℃)
Wichte: 1.617 · 1.617
Farbe: Clear colorless to yellow or slightly brown
Wasserlöslichkeit: Soluble in water (31 g/L at 20°C).
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
CAS Datenbank: 626 · 626-55-1(CAS DataBase Reference)
NIST chemische Informationen: 3 · Pyridine, 3-bromo-(626-55-1)
EPA chemische Informationen: 3 · 3-Bromopyridine (626-55-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Regulatory Information · 3 Einträge

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%)

Toxikologische Informationen

Adverse EffectsNeurotoxin - Other CNS neurotoxin

Sicherheitsdaten

F: 8
wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 3
hs_code: 29333999
risk_code: 10-22-36/37/38-23/24/25-20/21/22
hazard_code: Xn,T,F,Xi
hazard_note: Toxic/Flammable/Irritant
safety_code: 26-45-38-36/37/39-28A-16
hazard_class: 6.1
packing_group: III
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationPyridine, 3-bromo-: ACTIVE

Anwendungen

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

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Nachgelagerte Produkte

3-Bromo-4-formylpyridine Nicotinaldehyd 3-(3-Pyridinyl)benzoic acid Ethyl 3-(3-pyridyl)acrylate 3-Phenylpiperidin 3-Pyridinepropionic acid 3-Pyridylboronic acid 3-Pyridylacrylsaeure 5H-Pyrido[3,4-b]carbazole-5,11(10H)-dione 1533432-50-6 4-Bromo-3-methylpyridine 3-(Trifluormethyl)pyridin

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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]

Ergänzende Hinweise

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

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