2-Fluoro-4-methylpyridine-5-boronic acid

HCID 44118243

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Basic information

CAS: 1072944-18-3
Standard SMILES: Cc1cc(F)ncc1B(O)O
InChIKey: BAVHOAIWOSIBRD-UHFFFAOYSA-N
Molecular formula: C6H7BFNO2
Average molar mass: 154.94 g/mol
Monoisotopic mass: 155.0553868

Names & identifiers

Preferred name: 2-Fluoro-4-methylpyridine-5-boronic acid
IUPAC: (6-fluoro-4-methyl-3-pyridinyl)boronic acid
English name: 2-Fluoro-4-methylpyridine-5-boronic acid
Molecular formula: C6H7BFNO2
Molecular weight: 154.93

Names & synonyms

2-Fluoro-4-methylpyridine-5-boronic acidRefChem:472391691-618-51072944-18-32-Fluoro-4-methyl-5-pyridineboronic acid(6-fluoro-4-methylpyridin-3-yl)boronic acidMFCD087414066-Fluoro-4-methyl-3-pyridineboronic Acid(6-fluoro-4-methyl-3-pyridinyl)boronic acid2-Fluoro-4-methylpyridine-5-boronic2-Fluoro-4-Methylpyridine-5-BoronicAcid2-Fluoro-4-methyl-5-pyridineboronicacid

Show more names

CAS:1072944-18-32-F -4-Me-5-pyridine boronic acid3-Borono-6-fluoro-4-methylpyridine2-Fluoro-4-Methylpyridine-5-BoronicAci6-Fluoro-4-methylpyridine-3-boronic acid

EN300-316411F15471(6-fluoro-4-methyl-3-pyridyl)boronic acidAMY7909BCP106332-Fluoro-4-methylpyridSCHEMBL2725352SCHEMBL30087245

Database identifiers

CAS: 1072944-18-3
PubChem CID: 44118243
DTXSID: DTXSID70656790
EC Number: 691-618-5

Properties

Computed structural properties

Topological polar surface area: 53.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 136

Physicochemical properties

Boiling point: 331.6 · 331.6±52.0 °C(Predicted)
Density: 1.28 · 1.28±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 7.05 · 7.05±0.58(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H332-H319-H315-H302
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+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 2 reports by companies from 2 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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

Safety data

hs_code: 2933399990
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H332-H319-H315-H302
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501