QUINAZOLINE, 2,4-DICHLORO-6-NITRO structure

3D Mol Similar

QUINAZOLINE, 2,4-DICHLORO-6-NITRO

Iupac Name：2,4-dichloro-6-nitroquinazoline

CAS No.: 74173-77-6

Molecular Weight：244.03

Modify Date.: 2022-11-25 09:56

Request For Quotation

1. Names and Identifiers

1.1 Name: QUINAZOLINE, 2,4-DICHLORO-6-NITRO
1.2 Synonyms: 2,4-Dichloro-6-Nitro Quinazoline 2,4-Dichloro-6-nitroquinazoline QUINAZOLINE, 2,4-DICHLORO-6-NITRO Quinazoline, 2,4-dichloro-6-nitro-

1.3 CAS No.: 74173-77-6

1.4 CID: 12703366

1.5 Molecular Formula: C8H3Cl2N3O2 (isomer)

1.6 Inchi: InChI=1S/C8H3Cl2N3O2/c9-7-5-3-4(13(14)15)1-2-6(5)11-8(10)12-7/h1-3H

1.7 InChkey: HGHPXBLOAQXDCO-UHFFFAOYSA-N

1.8 Canonical Smiles: C1=CC2=C(C=C1[N+](=O)[O-])C(=NC(=N2)Cl)Cl

1.9 Isomers Smiles: C1=CC2=C(C=C1[N+](=O)[O-])C(=NC(=N2)Cl)Cl

2. Properties

2.1 Density: 1.674

2.1 Boiling point: 285.2°C at 760 mmHg

2.1 Refractive index: 1.704

2.1 Flash Point: 126.3°C

2.1 Precise Quality: 242.96000

2.1 PSA: 71.60000

2.1 logP: 3.36800

2.1 pKa: -1.81±0.30(Predicted)

3. Synthesis Route

74173-77-6Total: 9 Synthesis Route

616-79-5 120 Suppliers

74173-77-6 12 Suppliers

Literatures:
Bioorganic and Medicinal Chemistry, , vol. 19, # 9 p. 2797 - 2807
Yield: null

6293-83-0 59 Suppliers

74173-77-6 12 Suppliers

Literatures:
Synlett, , # 1 art. no. U27905ST, p. 65 - 68
Yield: null

32618-85-2 22 Suppliers

74173-77-6 12 Suppliers

Literatures:
Bembenek, Scott D.; Hocutt, Frances M.; Leonard, JR., Barry Eastman; Rabinowitz, Michael H.; Rosen, Mark D.; Tarantino, Kyle T.; Venkatesan, Hariharan Patent: US2010/204226 A1, 2010 ; Location in patent: Page/Page column 61 ;
Yield: ~92%

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4. Precursor and Product

precursor:

37404-51-6

32618-85-2

183989-84-6

17420-30-3

616-79-5

503-38-8

174565-65-2

6293-83-0

32315-10-9

product :

80195-33-1

5. Computational chemical data

Molecular Weight: 244.03g/mol
Molecular Formula: C₈H₃Cl₂N₃O₂
Compound Is Canonicalized: True
XLogP3-AA: 3.3
Exact Mass: 242.9602317
Monoisotopic Mass: 242.9602317
Complexity: 261
Rotatable Bond Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 4
Topological Polar Surface Area: 71.6
Heavy Atom Count: 15
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADcQBzMAAGAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACx8AAAHAIEAAAADAqBHiAx0PYYUAChAyRiZwCCgCkhBqApmCAwZpqIKKLB29GEJAhogAJIyCcQgAAOAACAQAACAAAAAQCAAAQAAAAAAAAAAA==

6. Recommended Suppliers

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2,4-Dichloro-6-nitroquinazoline

Purity:99%Packing: 200kg/bag FOB
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Time: 2019/07/29

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2,4-Dichloro-6-Nitroquinazoline

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2014/09/14

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QUINAZOLINE, 2,4-DICHLORO-6-NITRO