Tetrachloropyrimido[5,4-d]pyrimidine

HCID 97007

Notes Reactions

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Basic information

CAS: 32980-71-5
Standard SMILES: Clc1nc(Cl)c2nc(Cl)nc(Cl)c2n1
InChIKey: QNKFHUMDHRWWES-UHFFFAOYSA-N
Molecular formula: C6Cl4N4
Average molar mass: 269.9 g/mol
Monoisotopic mass: 267.887707

Names & identifiers

Preferred name: Tetrachloropyrimido[5,4-d]pyrimidine
IUPAC: 2,4,6,8-tetrachloropyrimido[5,4-d]pyrimidine
English name: 2,4,6,8-Tetrachloropyrimido[5,4-d]pyrimidine
Molecular formula: C6Cl4N4
Molecular weight: 269.9

Names & synonyms

Tetrachloropyrimido(5,4-d)pyrimidineTETRACHLOROPYRIMIDO[5,4-D]PYRIMIDINEEINECS 251-318-3NSC 96654DTXSID20186618RefChem:896821DTXCID60109109251-318-332980-71-52,4,6,8-Tetrachloropyrimido[5,4-d]pyrimidinePerchloropyrimido[5,4-d]pyrimidineMFCD02093495

Show more names

Dipyridamole Impurity 9Pyrimido[5,4-d]Pyrimidine Impurity 2"2,4,6,8-tetrachloropyramido[5,4-d]pyrimidine"Pyrimido[5,4-D]pyrimidine, 2,4,6,8-tetrachloro-

Pyrimido[5,4-d]pyrimidine, tetrachloro-NSC-966542,4,6,8-Tetrachloro-pyrimido[5,4-d]pyrimidineNSC96654Pyrimido[5,4-d]pyrimidine, 2,4,6,8-tetrachloro-; Pyrimido[5,4-d]pyrimidine, tetrachloro- (9CI); 2,4,6,8-Tetrachloropyrimido[5,4-d]pyrimidine; NSC 96654; Tetrachloropyrimido[5,4-d]pyrimidinePyrimido[5, tetrachloro-tetrachloropyrimidopyrimidine38TEA7PWJ3

Database identifiers

CAS: 32980-71-5
PubChem CID: 97007
DTXSID: DTXSID20186618
ChEMBL: CHEMBL363331
UNII: 38TEA7PWJ3
EC Number: 251-318-3
Nikkaji: J30.171J

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 51.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 196

Physicochemical properties

Melting point: 254 · 254-258 °C
Boiling point: 335.1 · 335.1±42.0 °C(Predicted)
Density: 1.871 · 1.871±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility: DMSO (Slightly)
form: Solid
pka: -3.88 · -3.88±0.30(Predicted)
color: Pale Yellow to Light Beige
Stability: Moisture Sensitive
CAS DataBase Reference: 32980 · 32980-71-5
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
HS Code: 2933.99 · 2933.99.9701

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 · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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

hs_code: 2933.99.9701
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36/37/39
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Chemistry & industry

Applications · 2 items

UsesPotential tyrosine kinase signal transduction inhibitor. A pyrimido[5,4-d]pyrimidine derivative used as an intermediate in the preparation of nucleoside transporter 1 inhibitors and potential modulators of the activity of antimetabolite antitumor agents.

UsesPotential tyrosine kinase signal transduction inhibitor.A pyrimido[5,4-d]pyrimidine derivative used as an intermediate in the preparation of nucleoside transporter 1 inhibitors and potential modulators of the activity of antimetabolite antitumor agents.

Upstream & downstream products

Upstream raw materials

5-Aminoorotic acid 2,4,6,8-Tetrahydroxy-Pyrimido-(5,4D)Pyrimidine

Suppliers72 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

济南百隆化学有限公司[email protected] · [email protected]

上海莉凯化工技术有限公司16628776521 · [email protected]

广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Related reactions

4 records

New reaction record

HRID 378903As reactantuspto-grants-2001_10

HRID 378912As reactantuspto-grants-2001_10

HRID 1867926As reactantuspto-grants-2009_12

HRID 2238693As reactantuspto-grants-2010_05

Compound notes

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