6-Bromo-2-methylpyridine-3-carbaldehyde
Basic information
- CAS
926293-55-2- Standard SMILES
Cc1nc(Br)ccc1C=O- InChIKey
CUTAVXXGKKXAHQ-UHFFFAOYSA-N- Molecular formula
- C7H6BrNO
- Average molar mass
- 200.03 g/mol
- Monoisotopic mass
- 198.96328
Names & identifiers
- Preferred name
- 6-Bromo-2-methylpyridine-3-carbaldehyde
- IUPAC
- 6-bromo-2-methylpyridine-3-carbaldehyde
- English name
- 6-Bromo-2-methylpyridine-3-carboxaldehyde
- Molecular formula
- C7H6BrNO
- Molecular weight
- 200.03
Names & synonyms
926293-55-26-Bromo-2-methylpyridine-3-carbaldehydeDTXSID50732465RefChem:307447DTXCID30683209840-289-86-Bromo-2-methylnicotinaldehyde6-bromo-2-methyl-pyridine-3-carbaldehydeMFCD131886546-BROMO-2-METHYLPYRIDINE-3-CARBOXALDEHYDEKML-70SCHEMBL4597958
Show more names
6-bromo-2-methyl-3-Pyridinecarboxaldehyde3-Pyridinecarboxaldehyde, 6-bromo-2-methyl-
CML-017KML-102CUTAVXXGKKXAHQ-UHFFFAOYSA-NBMB29355AKOS016002130AB66856BS-44296SY324907
Database identifiers
- CAS
926293-55-2- PubChem CID
- 59596231
- DTXSID
DTXSID50732465- EC Number
- 840-289-8
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 129
Physicochemical properties
- Boiling point
- 285 ℃ · 285℃
- Density
- 1.577 · 1.577
- Flash point
- 126 ℃ · 126℃
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -0.29 · -0.29±0.10(Predicted)
- Appearance
- Light yellow to brown Solid
- InChI
- InChI=1S/C7H6BrNO/c1-5-6(4-10)2-3-7(8)9-5/h2-4H,1H3
- InChIKey
- CUTAVXXGKKXAHQ-UHFFFAOYSA-N
- SMILES
- C1(C)=NC(Br)=CC=C1C=O
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
1 records
Compound notes
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