Basic information
- Standard SMILES
CCN(CC)c1ccc2cc3c(oc2c1)c(C#N)c(=N)n1c2ccccc2nc31- InChIKey
FXFIDVQMNRVEGQ-UHFFFAOYSA-N- Molecular formula
- C23H19N5O
- Average molar mass
- 381.4 g/mol
- Monoisotopic mass
- 381.15896025
Names & identifiers
- Preferred name
- 7H-(1)Benzopyrano(3',2':3,4)pyrido(1,2-a)benzimidazole-6-carbonitrile, 3-(diethylamino)-7-imino-
- IUPAC
- 17-(diethylamino)-11-imino-14-oxa-3,10-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2,4,6,8,12,15(20),16,18-nonaene-12-carbonitrile
- English name
- Solvent Red 197
- Molecular formula
- C23H19N5O
- Molecular weight
- 381.43
Names & synonyms
Solvent Red 19752372-39-17H-[1]Benzopyrano[3',2':3,4]pyrido[1,2-a]benzimidazole-6-carbonitrile, 3-(diethylamino)-7-imino-EINECS 257-885-33-(Diethylamino)-7-imino-7H-[1]benzopyrano[3',2':3,4]pyrido[1,2-a]benzimidazole-6-carbonitrile7H-[1]Benzopyrano[3',2':3,4]pyrido[1,2-a]benzimidazole-6-carbonitrile,3-(diethylamino)-7-imino-DTXSID30687503-(Diethylamino)-7-imino-7H-(1)benzopyrano(3',2':3,4)pyrido(1,2-a)benzimidazole-6-carbonitrile7H-(1)Benzopyrano(3',2':3,4)pyrido(1,2-a)benzimidazole-6-carbonitrile, 3-(diethylamino)-7-imino-7H-(1)Benzopyrano(3',2':3,4)pyrido(1,2-a)benzimidazole-6-carbonitrile,3-(diethylamino)-7-imino-RefChem:547091DTXCID6041185
Show more names
c.i. 505720Sudan Red 197Fluorol Red GKSolvent Red M6BPolysolve Red 199Rosaplast Red FSP.Solvent Red 197 >
257-885-33-(Diethylamino)-7-imino-7H-benzo[4,5]imidazo[1,2-a]chromeno[3,2-c]pyridine-6-carbonitrileMFCD0217621217-(diethylamino)-11-imino-14-oxa-3,10-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2,4,6,8,12,15(20),16,18-nonaene-12-carbonitrile3-(diethylamino)-7-imino-7H-chromeno[3',2':3,4]pyrido[1,2-a]benzimidazole-6-carbonitrileC.I.Solvent Red 197C.I. Solvent red 19734HKH79XFH
Database identifiers
- CAS
52372-39-1- PubChem CID
- 104185
- DTXSID
DTXSID3068750- UNII
- 34HKH79XFH
- EC Number
- 257-885-3
- Nikkaji
- J29.757G
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 77.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 803
Physicochemical properties
- Boiling point
- 557.8 · 557.8±60.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- vapor pressure
- 0 Pa · 0Pa at 25℃
- form
- powder to crystal
- pka
- 5.35 · 5.35±0.40(Predicted)
- color
- Orange to Brown to Dark red
- Appearance
- Orange to Brown to Dark Red Powder to Crystal
- Water Solubility
- 11 · 11-35970μg/L at 20-25℃
- InChI
- InChI=1S/C23H19N5O/c1-3-27(4-2)15-10-9-14-11-16-21(29-20(14)12-15)17(13-24)22(25)28-19-8-6-5-7-18(19)26-23(16)28/h5-12,25H,3-4H2,1-2H3
- InChIKey
- FXFIDVQMNRVEGQ-UHFFFAOYSA-N
- SMILES
- C12C3=CC4=CC=C(N(CC)CC)C=C4OC3=C(C#N)C(=N)N1C1=CC=CC=C1N=2
- LogP
- 3.63 · 3.63-5.5 at 25℃
- CAS DataBase Reference
- 52372 · 52372-39-1(CAS DataBase Reference)
- EPA Substance Registry System
- 7 H-[1]Benzopyrano[3',2':3,4]pyrido[1,2-a]benzimidazole-6-carbonitrile, · 7H-[1]Benzopyrano[3',2':3,4]pyrido[1,2-a]benzimidazole-6-carbonitrile, 3-(diethylamino)-7-imino- (52372-39-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319
- Precautionary statements
- 501 · P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312
- TSCA
- TSCA listed
- HS Code
- 2934.99 · 2934.99.4400
- REACH Registrations
- Active
Safety & regulation
Safety data
- tsca
- TSCA listed
- hs_code
- 2934.99.4400
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332-H315-H319
- REACH Registrations
- Active
- Precautionary statements
- P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312
Chemistry & industry
Applications
DescriptionSolvent Red 197 is a fluorescent probe.
UsesSolvent Red 197 is a benzopyran colorant with high thermal stability, suitable for coloring various resins and fibers. Fluorescent Red GK is mainly used for coloring plastics such as polystyrene, polyvinyl chloride, and polycarbonate. It is particularly suitable for light, transparent shades.
Upstream & downstream products
Upstream raw materials
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