Basic information
- CAS
3430-18-0- Standard SMILES
Cc1cc(Br)cnc1Br- InChIKey
LIMXEVCFAUTBCK-UHFFFAOYSA-N- Molecular formula
- C6H5Br2N
- Average molar mass
- 250.92 g/mol
- Monoisotopic mass
- 248.87887336
Names & identifiers
- Preferred name
- 2,5-Dibromo-3-methylpyridine
- IUPAC
- 2,5-dibromo-3-methylpyridine
- English name
- 2,5-Dibromo-3-methylpyridine
- Molecular formula
- C6H5Br2N
- Molecular weight
- 250.92
Names & synonyms
2,5-Dibromo-3-methylpyridine3430-18-0DTXSID30355833RefChem:82766DTXCID00306892608-965-52,5-Dibromo-3-picolineMFCD020930852,5-dibromo-3-methyl-pyridine2,5-Dibromo-3-methylpyridine, 98%PYRIDINE, 2,5-DIBROMO-3-METHYL-SCHEMBL390289
Show more names
TIMTEC-BB SBB0031432,5-Dibromo-3-methyl2,5-Dibromo-3-picoline,98%2-CHLORO-5-HYDROXY-3-PICOLINE2,5-Di BroMo-3-Methyl Pyridnie2,5-Dibromo-3-methylpyridine>Pyridine, 2,5-dibromo-3-methyl-2,5-DibroMo-3-Methylpyridine, 97%, 97%
SCHEMBL29393219LIMXEVCFAUTBCK-UHFFFAOYSA-NSBB003143AKOS002663794AB10779AC-6237CS-W009012FD40243
Database identifiers
- CAS
3430-18-0- PubChem CID
- 817680
- DTXSID
DTXSID30355833- EC Number
- 608-965-5
- Nikkaji
- J1.335.758G
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 97.1
Physicochemical properties
- Melting point
- 43 · 43-47 °C (lit.)
- Boiling point
- 114 °C · 114 °C / 6mmHg
- Density
- 1.9318 · 1.9318 (rough estimate)
- refractive index
- 1.63 · 1.6300 (estimate)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- soluble in Methanol
- pka
- -1.27 · -1.27±0.20(Predicted)
- form
- Crystalline Powder
- color
- Off-white to beige
- InChI
- InChI=1S/C6H5Br2N/c1-4-2-5(7)3-9-6(4)8/h2-3H,1H3
- InChIKey
- LIMXEVCFAUTBCK-UHFFFAOYSA-N
- SMILES
- C1(Br)=NC=C(Br)C=C1C
- CAS DataBase Reference
- 3430 · 3430-18-0(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H318
- Precautionary statements
- 280 · P280-P301+P310+P330-P302+P352-P305+P351+P338+P310
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- Hazard Codes
- Xn,Xi
- Risk Statements
- 22 · 22-36/38-36/37/38-20/21/22
- Safety Statements
- 26 · 26-36/37/39-36
- RIDADR
- 2811 · UN 2811 6.1/PG 3
- WGK Germany
- 3 · 3
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 29333990 · 29333990
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 OralEye · Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (39.8%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 103 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (39.8%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 29333990
- risk_code
- 22-36/38-36/37/38-20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- hazard_code
- Xn,Xi
- safety_code
- 26-36/37/39-36
- hazard_class
- 6.1
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- III
- Hazard statements
- H301-H315-H318
- Hazard Classifications
- Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2
- Precautionary statements
- P280-P301+P310+P330-P302+P352-P305+P351+P338+P310
Chemistry & industry
Applications
Uses2,5-Dibromo-3-methylpyridine is a pyridine organic compound, mainly used as a pharmaceutical intermediate.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
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Related reactions
43 records
Compound notes
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