Basic information
- CAS
40473-01-6- Standard SMILES
Clc1ccc(Br)nc1- InChIKey
BZUUVQCSPHPUQA-UHFFFAOYSA-N- Molecular formula
- C5H3BrClN
- Average molar mass
- 192.44 g/mol
- Monoisotopic mass
- 190.91373888
Names & identifiers
- Preferred name
- 2-Bromo-5-chloropyridine
- IUPAC
- 2-bromo-5-chloropyridine
- English name
- 2-Bromo-5-chloropyridine
- Molecular formula
- C5H3BrClN
- Molecular weight
- 192.44
Names & synonyms
2-Bromo-5-chloropyridine40473-01-6BZUUVQCSPHPUQA-UHFFFAOYSA-DTXSID60355740RefChem:466786DTXCID80306799668-305-7InChI=1/C5H3BrClN/c6-5-2-1-4(7)3-8-5/h1-3H2-Bromo-5-chloro-pyridineMFCD002340065-chloro-2-bromopyridineAC-3174
Show more names
IFLAB-BB F2124-02012-broMo-5-chloropyridin2-Brome-5-chloropyridine2-BroMoo-5-chloropyridine2-Beromo-5-chloropyridine2-broMo -5-chlorine pyridine2-Bromo-5-chloropyridine,98%
SY004233EN300-50142AC-907/25004332Pyridine, 2-bromo-5-chloro-2-bromo-5-chloro pyridineBCP22190FT-0600901SCHEMBL132151
Database identifiers
- CAS
40473-01-6- PubChem CID
- 817098
- DTXSID
DTXSID60355740- EC Number
- 668-305-7
- Nikkaji
- J865.817J
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 78.8
Physicochemical properties
- Melting point
- 65 · 65-69 °C
- Boiling point
- 128 °C · 128 °C / 16mmHg
- Density
- 1.736 · 1.736±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- -1.49 · -1.49±0.10(Predicted)
- form
- Powder
- color
- Beige to yellow-brown
- Water Solubility
- Slightly soluble in water.
- InChI
- InChI=1S/C5H3BrClN/c6-5-2-1-4(7)3-8-5/h1-3H
- InChIKey
- BZUUVQCSPHPUQA-UHFFFAOYSA-N
- SMILES
- C1(Br)=NC=C(Cl)C=C1
- CAS DataBase Reference
- 40473 · 40473-01-6(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H302-H312-H332-H335
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (92.9%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (92.9%)
Safety data
- ridadr
- Cool, dry,tightly closed
- hs_code
- 29339900
- risk_code
- 36/37/38-20/22-20/2236/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- safety_code
- 36/37/39-26-22-22 26 36/37/39-36
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H302-H312-H332-H335
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesIt is an important organic intermediate used in agrochemicals, pharmaceuticals and dyestuff fields. It is also used in the synthesis of novel halopyridinylboronic acids and esters.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
126 records
Compound notes
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