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The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

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 .