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4-Bis(2-hydroxyethyl)amino-2-(5-nitro-2-thienyl)quinazoline

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4-Bis(2-hydroxyethyl)amino-2-(5-nitro-2-thienyl)quinazoline

EINECS N/A
CAS No. 33372-39-3 Density 1.485g/cm3
PSA 143.54000 LogP 2.58070
Solubility N/A Melting Point N/A
Formula C16H16N4O4S Boiling Point 512.5°Cat760mmHg
Molecular Weight 360.42 Flash Point 263.8°C
Transport Information N/A Appearance N/A
Safety Questionable carcinogen with experimental carcinogenic data. Mutation data reported. When heated to decomposition it emits very toxic fumes of NOx and SOx. Risk Codes N/A
Molecular Structure Molecular Structure of 33372-39-3 (4-BIS(2-HYDROXYETHYL)AMINO-2-(5-NITRO-2-THIENYL)QUINAZOLINE) Hazard Symbols N/A
Synonyms

N/A

 

4-Bis(2-hydroxyethyl)amino-2-(5-nitro-2-thienyl)quinazoline Chemical Properties

Product Name: 4-Bis(2-hydroxyethyl)amino-2-(5-nitro-2-thienyl)quinazoline (CAS NO.33372-39-3)


Molecular Formula: C16H16N4O4S
Molecular Weight: 360.42g/mol
Mol File: 33372-39-3.mol
Boiling point: 512.5 °C at 760 mmHg 
Flash Point: 263.8 °C
Density: 1.485 g/cm3
Surface Tension: 80.3 dyne/cm
Enthalpy of Vaporization: 82.52 kJ/mol
Vapour Pressure: 2.5E-11 mmHg at 25°C
XLogP3-AA: 2.2
H-Bond Donor: 2
H-Bond Acceptor: 7
Structure Descriptors of 4-Bis(2-hydroxyethyl)amino-2-(5-nitro-2-thienyl)quinazoline (CAS NO.33372-39-3):
  IUPAC Name: 2-[2-Hydroxyethyl-[2-(5-nitrothiophen-2-yl)quinazolin-4-yl]amino]ethanol
  Canonical SMILES: C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=C(S3)[N+](=O)[O-])N(CCO)CCO
  InChI: InChI=1S/C16H16N4O4S/c21-9-7-19(8-10-22)16-11-3-1-2-4-12(11)17-15(18-16)13-5-6-14(25-13)20(23)24/h1-6,21-22H,7-10H2 
  InChIKey: QPDGFLZXRKDMRL-UHFFFAOYSA-N

4-Bis(2-hydroxyethyl)amino-2-(5-nitro-2-thienyl)quinazoline Toxicity Data With Reference

1.    

mma-sat 1250 µg/plate

    CNREA8    Cancer Research. 35 (1975),3611.

4-Bis(2-hydroxyethyl)amino-2-(5-nitro-2-thienyl)quinazoline Consensus Reports

EPA Genetic Toxicology Program.

4-Bis(2-hydroxyethyl)amino-2-(5-nitro-2-thienyl)quinazoline Safety Profile

Questionable carcinogen with experimental carcinogenic data. Mutation data reported. When heated to decomposition it emits very toxic fumes of NOx and SOx.

4-Bis(2-hydroxyethyl)amino-2-(5-nitro-2-thienyl)quinazoline Specification

 4-Bis(2-hydroxyethyl)amino-2-(5-nitro-2-thienyl)quinazoline , its CAS NO. is 33372-39-3, the synonyms are 2,2'-(2-(5-Nitro-2-thienyl)-4-quinazolinyl)iminobis(ethanol) ; BRN 0852831 ; CCRIS 815 ; Quinazoline, 4-bis(2-hydroxyethyl)amino-2-(5-nitro-2-thienyl)- .

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