CAS 944401-65-4 5-Bromo-6-fluoropyridin-2-amine (HCID 53418436)

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Basic information

CAS: 944401-65-4
Standard SMILES: Nc1ccc(Br)c(F)n1
InChIKey: SJXWFNBZBXZDCL-UHFFFAOYSA-N
Molecular formula: C5H4BrFN2
Average molar mass: 191 g/mol
Monoisotopic mass: 189.95419

Names & identifiers

Preferred name: 5-Bromo-6-fluoropyridin-2-amine
IUPAC: 5-bromo-6-fluoropyridin-2-amine
English name: 5-bromo-6-fluoropyridin-2-amine
Molecular formula: C5H4BrFN2
Molecular weight: 191

Names & synonyms

5-BROMO-6-FLUOROPYRIDIN-2-AMINE944401-65-4DTXSID70697426RefChem:301952DTXCID70648175832-808-16-Amino-3-bromo-2-fluoropyridine2-Amino-5-Bromo-6-fluoropyridineMFCD118484805-bromo-6-fluoro-2-pyridylamine5-bromo-6-fluoro-pyridin-2-amine5-bromo-6-fluoro-pyridin-2-ylamine

Show more names

1260332-Amine-5-Bromo-6-Fluoropyridin5-bromo-6-fluoropyridine-2-amine2-Amine-5-Bromo-6-Fluoropyridine2-Pyridinamine, 5-bromo-6-fluoro-5-Bromo-6-fluoropyridin-2-ylamine

SCHEMBL3193875-bromo-6-fluoro-2-pyridinamineSB18617SY244810EN300-1948015-BROMO-6-FLUOROPYRIDIN-2-AMINE, 944401-65-4, 2-Amino-5-Bromo-6-fluoropyridine, PubChem19511, SureCN319387, CTK5H6578, 5-bromo-6-fluoro-2-pyridinamine, MolPort-020-002-769, RW3584, AKOS016011715, AG-L-60114, QC-2757, RL05940, 5-bromanyl-6-fluoranyl-pyridin-2-amine, AK123487, KB-42407, A844953AMY42506A844953

Database identifiers

CAS: 944401-65-4
PubChem CID: 53418436
DTXSID: DTXSID70697426
EC Number: 832-808-1

Properties

Computed structural properties

XLogP: 1.6
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

Boiling point: 245 ℃ · 245℃
Density: 1.813 · 1.813
Flash point: 102 ℃ · 102℃
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 1.25 · 1.25±0.10(Predicted)
Appearance: Off-white to light brown Solid
InChI: InChI=1S/C5H4BrFN2/c6-3-1-2-4(8)9-5(3)7/h1-2H,(H2,8,9)
InChIKey: SJXWFNBZBXZDCL-UHFFFAOYSA-N
SMILES: C1(N)=NC(F)=C(Br)C=C1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.