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Home> Encyclopedia > Hot Product Listed 2   > 2,4(1H,3H)-Pyrimidinedione,6-[2-(4-hydroxyphenyl)diazenyl]-
108938-16-5 structure

2,4(1H,3H)-Pyrimidinedione,6-[2-(4-hydroxyphenyl)diazenyl]-

Iupac Name:7-bromo-5-methyl-1H-indole-2,3-dione
CAS No.:108938-16-5
Molecular Weight:240.05344
Molecular Formula:C23H27N3O (isomer)
Names and Identifiers
Synonyms

2,4(1H,3H)-Pyrimidinedione,6-[(4-hydroxyphenyl)azo]- (9CI) 6-(p-Hydroxyphenylazo)uracil NSC 194250 NSC 677287 Uracil, 6-[(p-hydroxyphenyl)azo]- (7CI,8CI)

Inchi
InChI=1/C9H6BrNO2/c1-4-2-5-7(6(10)3-4)11-9(13)8(5)12/h2-3H,1H3,(H,11,12,13)
Canonical Smiles
CC1=CC(=C2C(=C1)C(=O)C(=O)N2)Br
Properties
Density
1.019
Boiling Point
253.8°Cat760mmHg
Refractive Index
1.631
HS Code
2933990090
Safety and Handling
Safety

Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.

Toxicity
1.    

oms-bcs 20 mg/L

    JOBAAY    Journal of Bacteriology. 126 (1976),108.
2.    

dni-bcs 25 mg/L

    JOBAAY    Journal of Bacteriology. 126 (1976),108.
3.    

pic-bcs 100 µmol/L

    JOVIAM    Journal of Virology. 14 (1974),1470.
4.    

dni-omi 6 µmol/L

    FOMIAZ    Folia Microbiologica (Prague). (Academia, Vodickova 40, CS-112 29 Prague 1, 27 (1982),7.
Specification

 6-((p-Hydroxyphenyl)azo)uracil ,its CAS NO. is 29050-86-0,the synonyms is Hydroxyphenylazouracil ; 5-25-18-00244 (Beilstein Handbook Reference) ; BRN 0919894 ; NSC 194250 ; 2,4(1H,3H)-Pyrimidinedione, 6-((4-hydroxyphenyl)azo)- (9CI) ; Uracil, 6-((p-hydroxyphenyl)azo)- .

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:240.05344g/mol
  • Molecular Formula:C23H27N3O
  • Exact Mass:238.958191
  • Monoisotopic Mass:238.958191
  • Complexity:266
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:46.2
  • Heavy Atom Count:13
  • 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
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