3,5-Dibromopyridine

HCID 69369CAS 625-92-3
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Basic information

Standard SMILES
Brc1cncc(Br)c1
InChIKey
SOSPMXMEOFGPIM-UHFFFAOYSA-N
Molecular formula
C5H3Br2N
Average molar mass
236.89 g/mol
Monoisotopic mass
234.86322

Names & identifiers

Preferred name
3,5-Dibromopyridine
IUPAC
3,5-dibromopyridine
English name
3,5-Dibromopyridine
Molecular formula
C5H3Br2N
Molecular weight
236.89

Names & synonyms

3,5-Dibromopyridine625-92-3CHEBI:51593DTXSID3073921RefChem:486667DTXCID2043377210-916-4Pyridine, 3,5-dibromo-MFCD000146343,5-dibromo-pyridine3,5-dibromopyridin3,5-dibromo pyridine
Show more names
NSC 62093,5-DibrompyridinIFLAB-BB F1995-01903,5-dibormopyridineTIMTEC-BB SBB0032373,5-Dibromopyridine>Perampanel Impurity 123,5-Dibromopyridine,99%
3.5-Dibromopyridine3,5-dibromo-pyridinHY-Y0491CS-W019948PS-4092AC-907/30002039F1995-0190Z57070461

Database identifiers

CAS
625-92-3
PubChem CID
69369
DTXSID
DTXSID3073921
ChEBI
CHEBI:51593
EC Number
210-916-4
Nikkaji
J79.765K

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
12.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
8

Physicochemical properties

Melting point
110 · 110-115 °C (lit.)
Boiling point
222 °C · 222 °C
Density
2.0383 · 2.0383 (rough estimate)
refractive index
1.58 · 1.5800 (estimate)
storage temp.
Inert atmosphere,Room Temperature
solubility
DMSO (Slightly, Heated), Methanol (Slightly)

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (18.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (15.1%): 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 (15.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (96.2%): 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 53 reports by companies from 10 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

Regulatory Information3,5-Dibromopyridine: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (18.9%)；Acute Tox. 4 (15.1%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (15.1%)；STOT SE 3 (96.2%)

Regulatory information

Regulatory Information3,5-Dibromopyridine: Does not have an individual approval but may be used under an appropriate group standard

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
ridadr
UN2811
hs_code
29333999
risk_code
36/37/38-20/21/22
Signal word
Warning

Chemistry & industry

Applications · 2 items

Uses3-Acetylamino-5-ethoxypyridine was prepared by converting 3, 5-dibromopyridine with sodium ethylate into 3-bromo-5-ethoxypyridine, allowing this substance to interact with ammonia and acetylating the aminoethoxypyridine thus formed with acetic anhydride. Lithiation of 3, 5-dibromopyridine with LDA and subsequent reaction with electrophiles provided 4-alkyl-3, 5-dibromopyridines 2 in high yield. Ligand was prepared by a Pd(0)-catalyzed cross-coupling reaction of 3,5-dibromopyridine and 5-tributylstannyl-3,3-bipyridine. The synthesis of 3, 5-bis (2-indolyl) pyridine and 3-[(2-indolyl)-5-phenyl] pyridine derivatives as includes Stille or Suzuki type reactions, which were realized on the 3,5-dibromopyridine.

General Description3,5-Dibromopyridine undergoes lithiation with lithium diisopropylamide and on subsequent reaction with electrophiles yields 4-alkyl-3,5-dibromopyridines.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [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]
山东艾利特生物科技有限公司0539-18853986-090 13053958157 · [email protected]

Additional notes

DefinitionChEBI: 3,5-dibromopyridine is a dibromopyridine.

Related reactions

492 records
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Linked notes

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