CAS 41044-12-6|7-(diethylamino)-3-(1-methyl-1H-1,3-benzodiazol-2-yl)-2H-chromen-2-one|7-(diethylamino)-3-(1-methyl-1,3-benzodiazol-2-yl)chromen-2-one|7-(diethylamino)-3-(1-methyl-1H-benzo[d]imidazol...

Molecular Formula

C₂₁H₂₁N₃O₂

Molecular Mass

347.41034

Exact Mass

347.16337693

InChI

InChI=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

InChIKey

KZFUMWVJJNDGAU-UHFFFAOYSA-N

Canonic Smiles

CCN(c1ccc2c(c1)oc(=O)c(c2)c1nc2c(n1C)cccc2)CC

Isomeric Smiles

c1(c2c(=O)oc3c(c2)ccc(c3)N(CC)CC)nc2c(n1C)cccc2

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

4.1395154

LogD (pH = 7.4)

4.1603146

Log P

4.1605864

Molar Refractivity

103.2109

Polarizability

39.967087

Polar Surface Area

47.36

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

100335

IUPAC name

7-(diethylamino)-3-(1-methyl-1H-1,3-benzodiazol-2-yl)-2H-chromen-2-one

IUPAC Traditional name

7-(diethylamino)-3-(1-methyl-1,3-benzodiazol-2-yl)chromen-2-one

Synonyms

7-(diethylamino)-3-(1-methyl-1H-benzo[d]imidazol-2-yl)-2H-chromen-2-one香豆素 303-(2-N-Methylbenzimidazolyl)-7-N,N-diethylaminocoumarinCoumarin 515Coumarin 303-(2-N-甲基苯并咪唑基)-7-N,N-二乙基氨基香豆素香豆素 5157-diethylamino-3-(1-methyl-2-benzimidazolyl)coumarin

PubChem SID

24878875162216177

CAS Number

41044-12-6

MDL Number

MFCD00051349

Product Information

Compostion

Dye content, 99%

Empirical Formula (Hill Notation)

C21H21N3O2

Purity

98%

Physical Property

Absorption Wavelength

λmax 413 nm

Melting Point

225-229 °C(lit.)

Fluorescence

λem 478 nm in ethanol (Lasing peak 510 nm, lasing range 492 - 550 nm (ethylene glycol), pump source Ar (458 nm))

Safety Information

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

GHS Hazard statements

H315-H319-H335

MSDS Link

Download link

Risk Statements

36/37/38

Warning

Irritant (Xi)

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

26-36

P261-P305+P351+P338

No Data Available

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No Data Available

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Sigma Aldrich

546127

Application
Laser dye
Packaging
100 mg in glass bottle

No Data Available

Click here to submit data

Academic Data

PubChem

100335

IUPAC name

7-(diethylamino)-3-(1-methyl-1H-1,3-benzodiazol-2-yl)-2H-chromen-2-one

IUPAC Traditional name

7-(diethylamino)-3-(1-methyl-1,3-benzodiazol-2-yl)chromen-2-one

Synonyms

PubChem SID

CAS Number

MDL Number

546127

Application
Laser dye
Packaging
100 mg in glass bottle

No Data Available

Click here to submit data

Product Information

Compostion

Dye content, 99%

Empirical Formula (Hill Notation)

C21H21N3O2

Purity

98%

Physical Property

Absorption Wavelength

λmax 413 nm

Melting Point

225-229 °C(lit.)

Fluorescence

λem 478 nm in ethanol (Lasing peak 510 nm, lasing range 492 - 550 nm (ethylene glycol), pump source Ar (458 nm))

Safety Information

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

GHS Hazard statements

H315-H319-H335

MSDS Link

Download link

Risk Statements

36/37/38

Warning

Irritant (Xi)

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

26-36

P261-P305+P351+P338

Molecule

ID:121824