2-Bromo-5-fluoropyridin-3-amine

HCID 40427367

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Basic information

CAS: 884495-03-8
Standard SMILES: Nc1cc(F)cnc1Br
InChIKey: QUZAKZBKMMUARE-UHFFFAOYSA-N
Molecular formula: C5H4BrFN2
Average molar mass: 191 g/mol
Monoisotopic mass: 189.95418845

Names & identifiers

Preferred name: 2-Bromo-5-fluoropyridin-3-amine
IUPAC: 2-bromo-5-fluoropyridin-3-amine
English name: 3-Amino-2-bromo-5-fluoropyridine
Molecular formula: C5H4BrFN2
Molecular weight: 191

Names & synonyms

884495-03-82-bromo-5-fluoropyridin-3-amineDTXSID90654273RefChem:257348DTXCID90605023675-558-73-Amino-2-Bromo-5-fluoropyridineMFCD056624132-Bromo-5-fluoro-pyridin-3-amineSCHEMBL319244AKOS006295455CS-W015858

Show more names

3-Amino-2-bromo-5-fL2-Bromo-5-fluoro-3-pyridinamine2-broMo-5-fluoro-3-aMinopyridine3-Pyridinamine, 2-bromo-5-fluoro-2-Bromo-5-fluoro-pyridin-3-ylamine3-Amino-2-bromo-5-fluoropyridine,97%3-Amino-2-bromo-5-fluoropyridine 98%3-Amino-2-bromo-5-fluoropyridine ISO 9001：2015 REACH

AB21745AC-51632-bromo-5-fluoro-3-pyridylamineSCHEMBL297053633-Amino-2-bromo-5-fluoropyridine,SBB0518433-Amino-2-bromo-5-fluoropyridine, 97%SY030939

Database identifiers

CAS: 884495-03-8
PubChem CID: 40427367
DTXSID: DTXSID90654273
EC Number: 675-558-7

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 38.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 101

Physicochemical properties

Melting point: 114 · 114-116 °C
Boiling point: 273.6 · 273.6±35.0 °C(Predicted)
Density: 1.813 · 1.813±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: solid
pka: -0.5 · -0.50±0.10(Predicted)
color: White to off-white
InChI: InChI=1S/C5H4BrFN2/c6-5-4(8)1-3(7)2-9-5/h1-2H,8H2
InChIKey: QUZAKZBKMMUARE-UHFFFAOYSA-N
SMILES: C1(Br)=NC=C(F)C=C1N
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H318
Precautionary statements: 280 · P280-P301+P312+P330-P305+P351+P338+P310
Hazard Codes: Xn
Risk Statements: 22 · 22-41
Safety Statements: 26 · 26-39
WGK Germany: 3 · 3
HS Code: 2933399990 · 2933399990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Dam. 1

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (89.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 46 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (89.1%)

Safety data

wgk: 3
hs_code: 2933399990
risk_code: 22-41
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: Xn
safety_code: 26-39
Storage Class: 11 - Combustible Solids
Hazard statements: H302-H318
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1
Precautionary statements: P280-P301+P312+P330-P305+P351+P338+P310

Chemistry & industry

Applications · 1 item

Description3-Amino-2-bromo-5-fluoropyridine is a polyhalogenated pyridine with the chemical formula C5H4BrFN2. The compound has three functional groups: amino, bromine and fluorine, which change its reactivity. It is a crucial compound that could be used as a pharmaceutical intermediate in pharmaceutical synthesis and scientific research.