CAS 43088-67-1 4-Chloro-5-methylthieno[2,3-d]pyrimidine (HCID 290225)

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Basic information

CAS: 43088-67-1
Standard SMILES: Cc1csc2ncnc(Cl)c12
InChIKey: UAIXPCWTEUFSNI-UHFFFAOYSA-N
Molecular formula: C7H5ClN2S
Average molar mass: 184.65 g/mol
Monoisotopic mass: 183.98619684

Names & identifiers

Preferred name: 4-Chloro-5-methylthieno[2,3-d]pyrimidine
IUPAC: 4-chloro-5-methylthieno[2,3-d]pyrimidine
English name: 4-Chloro-5-methylthieno[2,3-d]pyrimidine
Molecular formula: C7H5ClN2S
Molecular weight: 184.65

Names & synonyms

4-chloro-5-methylthieno[2,3-d]pyrimidine43088-67-14-Chloro-5-methylthieno(2,3-d)pyrimidineDTXSID70302745RefChem:291782DTXCID20253879672-798-4MFCD00205201Thieno[2,3-d]pyrimidine, 4-chloro-5-methyl-NSC1533154-Chloro-5-methyl-thieno[2,3-d]pyrimidine4-chloro-5-methylthiopheno[2,3-d]pyrimidine

Show more names

BUTTPARK 46\18-754-Chloro-5-Methylthieno[2...4-Chloro-5-methylthieno[2,3-d]pyrimidine ,97%4-CHLORO-5-METHYLTHIENO[2,3-D]PYRIMIDINE ISO 9001：2015 REACH

1,1-thiobSCHEMBL438061CHEMBL353407orb3031367SCHEMBL30323242UAIXPCWTEUFSNI-UHFFFAOYSA-NFr12508SBB054637

Database identifiers

CAS: 43088-67-1
PubChem CID: 290225
DTXSID: DTXSID70302745
ChEMBL: CHEMBL353407
EC Number: 672-798-4
Nikkaji: J1.072.986F

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 54 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 155

Physicochemical properties

Melting point: 137 °C · 137 °C
Boiling point: 301.3 · 301.3±37.0 °C(Predicted)
Density: 1.445 · 1.445±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 0.71 · 0.71±0.40(Predicted)
Appearance: light pink solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Risk Statements: 36 · 36/37/38
Safety Statements: 22 · 22-36/37/39
HS Code: 29349990 · 29349990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.