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Administrative data

Endpoint:
melting point/freezing point
Type of information:
experimental study
Adequacy of study:
key study
Study period:
28/5/2016 - 30/5/2016
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Justification for type of information:
Experimental test result performed using standard OECD test guidelines.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2016
Report date:
2016

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 102 (Melting point / Melting Range)
Principles of method if other than guideline:
The melting point determination of Test item 2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl)-1,3-dimethyl-1H-benzimidazolium chlorine (CAS No. 29556-33-0) was done as per the test guideline OECD 102 by Capillary/metal block method.
GLP compliance:
no
Type of method:
capillary method

Test material

Constituent 1
Chemical structure
Reference substance name:
2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-1,3-dimethyl-1H-benzimidazolium chloride
EC Number:
249-694-9
EC Name:
2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-1,3-dimethyl-1H-benzimidazolium chloride
Cas Number:
29556-33-0
Molecular formula:
C22H24N3O2.Cl
IUPAC Name:
2-[7-(diethylamino)-2-oxo-2H-chromen-3-yl]-1,3-dimethyl-2,3-dihydro-1H-3,1-benzimidazol-1-ium chloride
Test material form:
solid: particulate/powder
Remarks:
migrated information: powder
Details on test material:
-Name of test material (as cited in study report): 2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-1,3-dimethyl-1H-benzimidazolium chloride
- Molecular formula (if other than submission substance): C22H24N3O2.Cl
- Molecular weight (if other than submission substance): 347.4159
- Smiles notation (if other than submission substance): c1(c2c(oc3c(c2)ccc(N(CC)CC)c3)=O)nc2ccccc2n1C
- InChl (if other than submission substance): 1S/C21H21N3O2/c1-4-24(5-2)15-11-10-14-12-16(21(25)26-19(14)13-15)20-22-17-8-6-7-9-18(17)23(20)3/h6-13H,4-5H2,1-3H3
- Substance type: Organic
- Physical state: Solid
Specific details on test material used for the study:
-Name of test material (as cited in study report): 2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-1,3-dimethyl-1H-benzimidazolium chloride
- Molecular formula (if other than submission substance): C22H24N3O2.Cl
- Molecular weight (if other than submission substance): 347.4159
- Smiles notation (if other than submission substance): c1(c2c(oc3c(c2)ccc(N(CC)CC)c3)=O)nc2ccccc2n1C
- InChl (if other than submission substance): 1S/C21H21N3O2/c1-4-24(5-2)15-11-10-14-12-16(21(25)26-19(14)13-15)20-22-17-8-6-7-9-18(17)23(20)3/h6-13H,4-5H2,1-3H3
- Substance type: Organic
- Physical state: Solid

Results and discussion

Melting / freezing point
Key result
Melting / freezing pt.:
>= 228 - <= 233.5 °C
Atm. press.:
968.9 hPa
Decomposition:
no
Sublimation:
no
Remarks on result:
other: by Capillary/metal block method

Any other information on results incl. tables

Method Details

Observations

Remarks if, any

Guideline

OECD 102

-

 

 

Method

Capillary/metal block

-

Principle of method

The temperature at which a solid becomes a liquid at standard atmospheric pressure

-

Grinding of Test item done

 

Not required

Atmospheric pressure

(in hPa)

 

968.9 hPa

Decomposition

 

Decomposition temperature(°C), if applicable

No

Sublimation

Sublimation temperature (°C), if applicable

 

No

Mean Melting point (°C)

(RESULT)

 

-----

Melting point range (°C), if applicable

 

228 °C to 233.5 °C

Applicant's summary and conclusion

Conclusions:
The mean melting point or range of 2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl)-1,3-dimethyl-1H-benzimidazolium chlorine (CAS No. 29556-33-0) was found be 228 °C -233.5 °C at 968.9 hPa
Executive summary:

The melting point determination of 2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl)-1,3-dimethyl-1H-benzimidazolium chlorine (CAS No. 29556-33-0) was done following OECD Guideline 102 and according to the metal block capillary method. The test was conducted in replicates and mean melting point was found to be 228 °C to 233.5 °C at 968.9 hPa .

 

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