4-Chloro-5,6-dimethylthieno(2,3-d)pyrimidine
Basic information
- CAS
108831-68-1- Standard SMILES
Cc1sc2ncnc(Cl)c2c1C- InChIKey
HYOBKTVPACQCBR-UHFFFAOYSA-N- Molecular formula
- C8H7ClN2S
- Average molar mass
- 198.67 g/mol
- Monoisotopic mass
- 198.0018471
Names & identifiers
- Preferred name
- 4-Chloro-5,6-dimethylthieno(2,3-d)pyrimidine
- IUPAC
- 4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine
- English name
- 4-Chloro-5,6-dimethylthieno[2,3-d]pyrimidine
- Molecular formula
- C8H7ClN2S
- Molecular weight
- 198.67
Names & synonyms
4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine108831-68-1DTXSID003027384-Chloro-5,6-dimethylthieno(2,3-d)pyrimidineRefChem:291713DTXCID00253872691-897-34-Chloro-5,6-dimethyl-thieno[2,3-d]pyrimidineMFCD00464832Thieno[2,3-d]pyrimidine, 4-chloro-5,6-dimethyl-F1616-00654-chloro-5,6-dimethylthiopheno[2,3-d]pyrimidine
Show more names
AKOS 92585NSC 153302AKOS BBS-00000859CHEMBRDG-BB 4010156OTAVA-BB BB70127800104-chloro-5,6-dimethylthieno[3,2-e]pyrimidine
2,2,2-Trideuterioethanol; 2,2,2-Trideuteroethanol; Ethanol-2,2,2-d3NSC153302IFLAB-BB F1616-0065CBDivE_011508SCHEMBL1604779ETHYL-222-D3 ALCOHOLAKOS USSH-4110906BUTTPARK 37\11-56
Database identifiers
- CAS
108831-68-1- PubChem CID
- 290212
- DTXSID
DTXSID00302738- EC Number
- 691-897-3
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- Melting point
- 112 °C · 112 °C
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Appearance
- White to light yellow Solid
- Water Solubility
- Slightly soluble in water.
- CAS DataBase Reference
- 108831 · 108831-68-1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xn
- Risk Statements
- 26 · 26-36-22-20/21/22
- Safety Statements
- 26 · 26-36/37-3/7
- HazardClass
- IRRITANT
- HS Code
- 29335990 · 29335990
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 (20%): 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)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (20%)
Safety data
- hs_code
- 29335990
- risk_code
- 26-36-22-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37-3/7
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesEmployed as a intermediate for pharmaceutical.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
2 records
Compound notes
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