6-chloro-9-(tetrahydro-2H-pyran-2-yl)-9H-purine

HCID 97740

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Basic information

CAS: 7306-68-5
Standard SMILES: Clc1ncnc2c1ncn2C1CCCCO1
InChIKey: QSTASPNCKDPSAH-UHFFFAOYSA-N
Molecular formula: C10H11ClN4O
Average molar mass: 238.67 g/mol
Monoisotopic mass: 238.06213865

Names & identifiers

Preferred name: 6-chloro-9-(tetrahydro-2H-pyran-2-yl)-9H-purine
IUPAC: 6-chloro-9-(oxan-2-yl)purine
English name: 6-Chloro-9-(tetrahydro-2-pyranyl)-purine
Molecular formula: C10H11ClN4O
Molecular weight: 238.67

Names & synonyms

7306-68-56-Chloro-9-(tetrahydro-2H-pyran-2-yl)-9H-purineEINECS 230-757-4NSC 33187RefChem:104423230-757-46-Chloro-9-(tetrahydropyran-2-yl)purine6-Chloro-9-(tetrahydro-2-pyranyl)-purine6-chloro-9-(oxan-2-yl)purine6-chloro-9-(2-tetrahydropyranyl)purine6-Chloro-9-(tetrahydro-2-pyranyl)purineMFCD00022821

Show more names

EOS-607226-Chloropurine-THPTIMTEC-BB SBB0053446-CHLORO-9-(TETRAHYD6-Chloro-9-Thp-9H-purine

6-chloro-9-(oxan-2-yl)-9H-purine9H-Purine, 6-chloro-9-(tetrahydro-2H-pyran-2-yl)-6-CHLORO-9-(TETRAHYDROPYRAN-2-YL)-9H-PURINE6-chloro-9-tetrahydropyranylpurineGS-4272NCGC00174342-016-chloro-9-(tetrahydro-pyran-2-yl)-9H-purine2-(6-chloropurin-9-yl)-2H-3,4,5,6-tetrahydropyran

Database identifiers

CAS: 7306-68-5
PubChem CID: 97740
DTXSID: DTXSID501240654
EC Number: 230-757-4
Nikkaji: J212.303G

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 52.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 255

Physicochemical properties

Melting point: 149 · 149-151℃
Boiling point: 428.3 · 428.3±55.0 °C(Predicted)
Density: 1.604 · 1.604
Flash point: 213 ° · 213°(415°F)
refractive index: 1.741 · 1.7410
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
pka: 0.79 · 0.79±0.10(Predicted)
form: Solid
color: White to pale yellow
CAS DataBase Reference: 7306 · 7306-68-5(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H335-H315
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2933998090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H335-H315
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Applications · 1 item

Uses6-Chloro-9-(2-tetrahydropyranyl)purine is used to prepare 6-anilino-9-(2-tetrahydropyranyl)purine by reacting with bromobenzene in the presence of potassium amide as a reagent. Further, it serves as an intermediate in organic synthesis and pharmaceuticals.