2-Chloro-9H-purine - CAS 1681-15-8
Catalog: |
BB046654 |
Product Name: |
2-Chloro-9H-purine |
CAS: |
1681-15-8 |
Synonyms: |
2-Chloropurine; 9H-purine, 2-chloro-; 2-chloro-1H-purine; NSC17111; Chloropurine |
IUPAC Name: | 2-chloro-7H-purine |
Description: | 2-Chloro-9H-purine (CAS# 1681-15-8 ) is a useful research chemical. |
Molecular Weight: | 154.56 |
Molecular Formula: | C5H3ClN4 |
Canonical SMILES: | C1=C2C(=NC(=N1)Cl)N=CN2 |
InChI: | InChI=1S/C5H3ClN4/c6-5-7-1-3-4(10-5)9-2-8-3/h1-2H,(H,7,8,9,10) |
InChI Key: | JBMBVWROWJGFMG-UHFFFAOYSA-N |
Boiling Point: | 287.9±23.0 °C (Predicted) |
Melting Point: | 231-234 °C |
Purity: | > 95 % |
Density: | 1.84±0.1 g/cm3 (Predicted) |
MDL: | MFCD00137826 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | 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 |
Signal Word: | Warning |
Complexity: | 131 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.0046238 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.0046238 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 54.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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