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27631-29-4 molecular structure
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2,4-dichloro-6,7-dimethoxyquinazoline

ChemBase ID: 150450
Molecular Formular: C10H8Cl2N2O2
Molecular Mass: 259.08872
Monoisotopic Mass: 257.99628287
SMILES and InChIs

SMILES:
COc1cc2c(cc1OC)nc(nc2Cl)Cl
Canonical SMILES:
COc1cc2nc(Cl)nc(c2cc1OC)Cl
InChI:
InChI=1S/C10H8Cl2N2O2/c1-15-7-3-5-6(4-8(7)16-2)13-10(12)14-9(5)11/h3-4H,1-2H3
InChIKey:
DGHKCBSVAZXEPP-UHFFFAOYSA-N

Cite this record

CBID:150450 http://www.chembase.cn/molecule-150450.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,4-dichloro-6,7-dimethoxyquinazoline
IUPAC Traditional name
2,4-dichloro-6,7-dimethoxyquinazoline
Synonyms
2-Chloro-6,7-dimethoxyquinazolin-4-yl Chloride
2,4-Dichloro-6,7-dimethoxyquinazoline
2,4-Dichloro-6,7-dimethoxy quinazoline
2,4-Dichloro-6,7-dimethoxyquinazoline
2,4-二氯-6,7-二甲氧基喹唑啉
CAS Number
27631-29-4
EC Number
000-000-0
MDL Number
MFCD00051733
Beilstein Number
190331
PubChem SID
162244611
24879076
PubChem CID
520327

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.842492  LogD (pH = 7.4) 2.842492 
Log P 2.842492  Molar Refractivity 63.0916 cm3
Polarizability 25.05928 Å3 Polar Surface Area 44.24 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
175-178 °C(lit.) expand Show data source
175-179°C expand Show data source
Storage Warning
Moisture Sensitive expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
97% expand Show data source
98% expand Show data source
98+% expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C10H8Cl2N2O2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - 550868 external link
Packaging
25 g in glass bottle
Toronto Research Chemicals - D434230 external link
An intermediate in the preparation of potential inhibitors of epidermal growth factor receptor kinases. An intermediate in the preparation of Terazosin (T105000).

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Wan, B. et al.: Zhongguo Yiyao Gongye Zazhi, 31, 385 (2000)
  • • Lueth, A., et al.: Eur. J. Med. Chem., 43, 1478 (2000)
  • • For a review of the chemistry of quinazolines, see: Adv. Het. Chem., 24, 1 (1979).
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PATENTS

PATENTS

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INTERNET

INTERNET

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