4-chloro-2,7-dimethyl-7H-pyrrolo(2,3-d)pyrimidine
Basic information
- CAS
78756-80-6- Standard SMILES
Cc1nc(Cl)c2ccn(C)c2n1- InChIKey
JDKLNCOOXYFOKT-UHFFFAOYSA-N- Molecular formula
- C8H8ClN3
- Average molar mass
- 181.62 g/mol
- Monoisotopic mass
- 181.040675
Names & identifiers
- Preferred name
- 4-chloro-2,7-dimethyl-7H-pyrrolo(2,3-d)pyrimidine
- IUPAC
- 4-chloro-2,7-dimethylpyrrolo[2,3-d]pyrimidine
- English name
- 4-chloro-2,7-diMethyl-7H-pyrrolo[2,3-d]pyriMidine
- Molecular formula
- C8H8ClN3
- Molecular weight
- 181.62
Names & synonyms
4-Chloro-2,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidine78756-80-64-chloro-2,7-dimethyl-7H-pyrrolo(2,3-d)pyrimidineRefChem:520876974-744-8SCHEMBL19033043SCHEMBL29683835DDA75680G62296A1-859917H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-2,7-dimethyl-
Database identifiers
- CAS
78756-80-6- PubChem CID
- 73554641
- EC Number
- 974-744-8
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- Melting point
- 121 · 121-122 °C
- Boiling point
- 226.5 · 226.5±22.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.61 · 3.61±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
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-H315-H319-H332-H335
- Precautionary statements
- P280-P305+P351+P338-P310
Suppliers
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Related reactions
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Compound notes
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