4-Bromo-2-chloro-5-nitropyridine
Basic information
- CAS
1261767-18-3- Standard SMILES
O=[N+]([O-])c1cnc(Cl)cc1Br- InChIKey
DVBAUHSXNQFCQQ-UHFFFAOYSA-N- Molecular formula
- C5H2BrClN2O2
- Average molar mass
- 237.44 g/mol
- Monoisotopic mass
- 235.89882
Names & identifiers
- Preferred name
- 4-Bromo-2-chloro-5-nitropyridine
- IUPAC
- 4-bromo-2-chloro-5-nitropyridine
- English name
- 4-Bromo-2-chloro-5-nitropyridine
- Molecular formula
- C5H2BrClN2O2
- Molecular weight
- 237.44
Names & synonyms
4-BROMO-2-CHLORO-5-NITROPYRIDINE1261767-18-3DTXSID40693612RefChem:290682DTXCID40644361832-492-5Pyridine, 4-bromo-2-chloro-5-nitro-MFCD170149864-bromo-2-chloro-5-nitro-pyridineSCHEMBL17506477LAC76718AKOS015833824
Show more names
AS-62122SY129087CS-0130944D83122EN300-125980F544735Z1269120408
Database identifiers
- CAS
1261767-18-3- PubChem CID
- 53350367
- DTXSID
DTXSID40693612- EC Number
- 832-492-5
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Boiling point
- 273.4 · 273.4±35.0 °C(Predicted)
- Density
- 1.936 · 1.936±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- -4.12 · -4.12±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933399990 · 2933399990
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses4-Bromo-2-chloro-5-nitropyridine CGRP receptor antagonists useful for treatment of migraine.
Suppliers
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Related reactions
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Compound notes
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