2,5-Dibromo-4-methylpyridine

HCID 2734429

Notes Reactions

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Basic information

CAS: 3430-26-0
Standard SMILES: Cc1cc(Br)ncc1Br
InChIKey: WWJLJUAHQHXDGM-UHFFFAOYSA-N
Molecular formula: C6H5Br2N
Average molar mass: 250.92 g/mol
Monoisotopic mass: 248.87887336

Names & identifiers

Preferred name: 2,5-Dibromo-4-methylpyridine
IUPAC: 2,5-dibromo-4-methylpyridine
English name: 2,5-Dibromo-4-methylpyridine
Molecular formula: C6H5Br2N
Molecular weight: 250.92

Names & synonyms

2,5-Dibromo-4-methylpyridine3430-26-0DTXSID70370308RefChem:82771DTXCID00321343621-880-82,5-Dibromo-4-picolinePyridine, 2,5-dibromo-4-methyl-MFCD002349552,5-Dibromo-4-methyl-pyridine2,5-dibromo-4-methypyridineRB1048

Show more names

2,3-dibromo-4-methylpyridineTIMTEC-BB SBB0031422,5-Dibromo-4-methyL3-Chloro-3-iodopyridine2,5-Dibromo-4-picoline,98%2,5-Dibromo-4-methylpyridine >2,5-Dibromo-4-methylpyridine, 97%

2,5-Dibromo-4-methylpyridine, 97%AB05276PS-7470Z1269154884AM62706A6040FT-0610274SCHEMBL151857

Database identifiers

CAS: 3430-26-0
PubChem CID: 2734429
DTXSID: DTXSID70370308
EC Number: 621-880-8
Nikkaji: J1.380.446J

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 97.1

Physicochemical properties

Melting point: 37 · 37-42 °C
Boiling point: 181.5 °C · 181.5°C (rough estimate)
Density: 1.9318 · 1.9318 (rough estimate)
refractive index: 1.63 · 1.6300 (estimate)
Flash point: 113 ° · 113°
storage temp.: Inert atmosphere,Room Temperature
solubility: soluble in Methanol
pka: -0.91 · -0.91±0.18(Predicted)
form: Low Melting Solid
color: Light yellow to orange
InChI: InChI=1S/C6H5Br2N/c1-4-2-6(8)9-3-5(4)7/h2-3H,1H3
InChIKey: WWJLJUAHQHXDGM-UHFFFAOYSA-N
SMILES: C1(Br)=NC=C(Br)C(C)=C1
CAS DataBase Reference: 3430 · 3430-26-0(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H315-H318-H335
Precautionary statements: 280 · P280-P301+P312+P330-P302+P352-P305+P351+P338+P310
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes: Xn,Xi
Risk Statements: 36 · 36/37/38-20/21/22-41-37/38-22
Safety Statements: 36 · 36/37/39-26-39
WGK Germany: 3 · 3
Hazard Note: Harmful
HazardClass: IRRITANT
HS Code: 29333999 · 29333999
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Danger

H302 (89.6%): 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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (89.6%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk: 3
hs_code: 29333999
risk_code: 36/37/38-20/21/22-41-37/38-22
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: Xn,Xi
hazard_note: Harmful
safety_code: 36/37/39-26-39
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H302-H315-H318-H335
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Precautionary statements: P280-P301+P312+P330-P302+P352-P305+P351+P338+P310

Chemistry & industry

Applications · 1 item

Uses2,5-Dibromo-4-methylpyridine is mainly used in organic synthesis, and in the pharmaceutical industry, it is used to synthesize heart disease drugs such as disopyramide (disopyramide phosphate). Disopyramide is used to maintain sinus rhythm in atrial fibrillation and atrial flutter, or to prevent the recurrence of ventricular tachycardia and ventricular fibrillation. It can also be used for premature atrial contractions, paroxysmal atrial tachycardia, premature ventricular contractions, etc.

Upstream & downstream products

Upstream raw materials

Downstream products

5-Bromo-2-iodo-4-picoline

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

Related reactions

41 records

New reaction record

HRID 42016As reactantuspto-grants-2013_09

HRID 80917As reactantuspto-grants-2014_09

HRID 89852As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 214175As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 309387As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 448851As productuspto-grants-2013_07

HRID 448852As reactantuspto-grants-2013_07

HRID 661605As productuspto-grants-2011_12

Compound notes

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