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Home> Encyclopedia >   /  Carbonate  /  Food Additives  /  Others  /  Other Inorganic Salts  /  Other Inorganic Chemicals
Thiazole, 4,5-diphenyl- structure
Thiazole, 4,5-diphenyl- structure

Thiazole, 4,5-diphenyl-

Iupac Name:azanium;hydrogen carbonate
CAS No.:1066-33-7
Molecular Weight:79.0553
1. Names and Identifiers
1.1 Name
Thiazole, 4,5-diphenyl-
1.2 Synonyms

1826-15-9 4,5-diphenyl-1,3-thiazole 4,5-diphenylthiazole AKOS000521946 CTK0E2778 DTXSID80356931 Enamine_000636 HMS1395M20 MCULE-7789873074 ST50981476 Thiazole, 4,5-diphenyl- ZINC365173

1.3 CAS No.
1066-33-7
1.4 CID
14013
1.5 Molecular Formula
C19H26F2O2 (isomer)
1.6 Inchi
InChI=1/CH2O3.H3N/c2-1(3)4;/h(H2,2,3,4);1H3
1.7 InChkey
ATRRKUHOCOJYRX-UHFFFAOYSA-N
1.8 Canonical Smiles
C(=O)(O)[O-].[NH4+]
1.9 Isomers Smiles
C(=O)(O)[O-].[NH4+]
2. 3D Conformer
3. Properties
3.1 Melting Point
105 °C
3.2 Vapour
2.58E-05mmHg at 25°C
3.3 Refractive Index
INDEX OF REFRACTION: 1.423, 1.536, 1.555
3.4 Flash Point
68.1°C
4. Safety and Handling
4.1 Risk Statements
R36/37/38
4.2 Safety Statements
S22
4.3 HazardClass
6.1
4.4 Hazard Note
H302
4.5 PackingGroup
Z01
4.6 Transport
UN 9081
5. 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

6. Computational chemical data
  • Molecular Weight:79.0553g/mol
  • Molecular Formula:C19H26F2O2
  • Exact Mass:79.026943
  • Monoisotopic Mass:79.026943
  • Complexity:24.8
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:61.4
  • Heavy Atom Count:5
  • 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:2
8. Question & Answer
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