Methyl 2,4-dichloropyrimidine-5-carboxylate - CAS 3177-20-6
Catalog: |
BB021052 |
Product Name: |
Methyl 2,4-dichloropyrimidine-5-carboxylate |
CAS: |
3177-20-6 |
Synonyms: |
methyl 2,4-dichloropyrimidine-5-carboxylate |
IUPAC Name: | methyl 2,4-dichloropyrimidine-5-carboxylate |
Description: | Methyl 2,4-dichloropyrimidine-5-carboxylate (CAS# 3177-20-6) is a useful research chemical. |
Molecular Weight: | 207.01 |
Molecular Formula: | C6H4Cl2N2O2 |
Canonical SMILES: | COC(=O)C1=CN=C(N=C1Cl)Cl |
InChI: | InChI=1S/C6H4Cl2N2O2/c1-12-5(11)3-2-9-6(8)10-4(3)7/h2H,1H3 |
InChI Key: | FNNAWVXVOHNOFF-UHFFFAOYSA-N |
Boiling Point: | 299.3 °C at 760 mmHg |
Melting Point: | 30-34 °C |
Purity: | 95 % |
Density: | 1.503 g/cm3 |
Appearance: | White to tan fibrous powder or solid or colorless to tan liquid |
MDL: | MFCD09910342 |
LogP: | 1.57000 |
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]; 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111303125-A | Methoxy-substituted indole-pyrimidine compound and preparation method thereof | 20200410 |
WO-2020243459-A1 | Thiadiazolyl derivatives as dna polymerase theta inhibitors | 20190531 |
WO-2020233669-A1 | Indole derivative-containing inhibitor, preparation method therefor and application thereof | 20190522 |
CN-112292378-A | Indole derivative-containing inhibitor, preparation method and application thereof | 20190522 |
US-2019337930-A1 | Synthesis of cerdulatinib | 20180504 |
Complexity: | 179 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.9649828 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.9649828 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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