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EC number: 249-694-9 | CAS number: 29556-33-0
Boiling point
Administrative data
- Endpoint:
- boiling point
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 27/5/2016-28/5/2016
- 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:
- 2 016
- Report date:
- 2016
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 103 (Boiling point/boiling range)
- Principles of method if other than guideline:
- The boiling point determination of Test item2-[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 103 by Siwoloboff method.
- GLP compliance:
- no
- Type of method:
- method according to Siwoloboff
Test material
- 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
- 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: C22H24N3O2.Cl
- Molecular weight: 397.904 g/mol
- Smiles notation: c1([n+](c2c(n1C)cccc2)C)c1c(oc2c(c1)ccc(c2)N(CC)CC)=O.[ClH-]
- InChl: 1S/C22H24N3O2.ClH/c1-5-25(6-2)16-12-11-15-13-17(22(26)27-20(15)14-16)21-23(3)18-9-7-8-10-19(18)24(21)4;/h7-14H,5-6H2,1-4H3;1H/q+1;/p-1
- Substance type: Organic
- Physical state: Solid
Constituent 1
- 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
Boiling point
- Key result
- Boiling pt.:
- > 250 °C
- Atm. press.:
- 974.6 hPa
- Decomposition:
- no
- Remarks on result:
- other: by Siwoloboff method
Any other information on results incl. tables
Method Details |
Observations |
Remarks if, any |
|
Guideline |
OECD 103 |
|
|
Method |
Method according to Siwoloboff |
|
|
Principle of Boiling point test |
A sample is heated gradually in a tube which is immersed in a liquid bath. The sample tube is held in close contact with a thermometer and it contains a boiling capillary which is fused about1 cm above its lower end. Upon approach of the boiling temperature bubbles emerge rapidly from the lower open end of the capillary. The boiling temperature is that temperature at which, on momentary cooling, the string of bubbles stops and liquid suddenly rises in the capillary. |
|
|
Quantity of chemical used |
g/ml |
1 g |
|
Nature of the Bath taken |
· Oil bath · Water bath |
Oil bath |
|
|
If oil bath is used, specify · Liquid paraffin · Silicone oil |
Silicone oil |
|
Atmospheric pressure |
hPa |
974.6 hPa |
|
Decomposition |
Decomposition temperature (°C), if applicable · Yes · No |
no |
|
Mean Boiling point (°C) (RESULT) |
°C |
Greater than 250 °C |
|
Boiling point range, if applicable |
°C |
----- |
|
Applicant's summary and conclusion
- Conclusions:
- The mean boiling 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 found to be greater than 250°C at 974.6hPa.
- Executive summary:
The boiling 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 103 and according to the method of Siwoloboff. The mean boiling point was found to be greater than 250°C at 974.6hPa.
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