1-Chloro-3-methylpyrrolo[1,2-a]pyrazine
Basic information
- CAS
1025054-90-3- Standard SMILES
Cc1cn2cccc2c(Cl)n1- InChIKey
CSVDZEVPLXGDGS-UHFFFAOYSA-N- Molecular formula
- C8H7ClN2
- Average molar mass
- 166.61 g/mol
- Monoisotopic mass
- 166.0297759
Names & identifiers
- Preferred name
- 1-Chloro-3-methylpyrrolo[1,2-a]pyrazine
- IUPAC
- 1-chloro-3-methylpyrrolo[1,2-a]pyrazine
- English name
- 1-chloro-3-Methyl-Pyrrolo[1,2-a]pyrazine
- Molecular formula
- C8H7ClN2
- Molecular weight
- 166.61
Names & synonyms
1-Chloro-3-methylpyrrolo[1,2-a]pyrazineDTXSID607435471-chloro-3-methylpyrrolo(1,2-a)pyrazineRefChem:431347DTXCID50694291987-267-51025054-90-3Pyrrolo[1,2-a]pyrazine, 1-chloro-3-methyl-1-chloro-3-methyl-Pyrrolo[1,2-a]pyrazineSCHEMBL15754794MFCD12924339AS-76892
Show more names
DB-328893D86688
Database identifiers
- CAS
1025054-90-3- PubChem CID
- 70700751
- DTXSID
DTXSID60743547- EC Number
- 987-267-5
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 17.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.61 · 4.61±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-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
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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