Basic information
- CAS
26093-31-2- Standard SMILES
Cc1cc(=O)oc2cc(N)ccc12- InChIKey
GLNDAGDHSLMOKX-UHFFFAOYSA-N- Molecular formula
- C10H9NO2
- Average molar mass
- 175.18 g/mol
- Monoisotopic mass
- 175.06332853
Overview
Coumarin 120 is a member of 7-aminocoumarins. It has a role as a fluorochrome.
Names & identifiers
- Preferred name
- 7-Amino-4-methylcoumarin
- IUPAC
- 7-amino-4-methylchromen-2-one
- English name
- Coumarin 120
- Molecular formula
- C10H9NO2
- Molecular weight
- 175.18
Names & synonyms
7-Amino-4-methylcoumarin26093-31-2Coumarin 1207-Amino-4-methyl-2H-chromen-2-one2H-1-Benzopyran-2-one, 7-amino-4-methyl-4-Methyl-7-aminocoumarinCoumarin, 7-amino-4-methyl-7-AMINO-4-METHYL-CHROMEN-2-ONE7-amino-4-methylchromen-2-oneOCY3JCT44X7-amino-4-methyl-coumarinNSC-45796
Show more names
C1207-AMCAMC 7-Amino-4-MethylcoumarinH-MCAC 120
CHEBI:51771DTXSID40885333RefChem:545384DTXCID0010247182H-1-benzopyran-2-one, 7-amino-4-methyl247-454-8Coumarin 440AMC
Database identifiers
- CAS
26093-31-2- PubChem CID
- 92249
- DTXSID
DTXSID40885333- ChEMBL
CHEMBL270672- ChEBI
CHEBI:51771- UNII
- OCY3JCT44X
- EC Number
- 247-454-8
- Nikkaji
- J150.531I
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 260
Experimental & physicochemical properties
Chemical ClassesDyes -> Coumarin Dyes
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials PropertiesChemical shift
Physical DescriptionPowder; [MSDS]
Physicochemical properties
- Melting point
- 223 · 223-226 °C (lit.)
- Boiling point
- 306.47 °C · 306.47°C (rough estimate)
- Density
- 1.1999 · 1.1999 (rough estimate)
- refractive index
- 1.506 · 1.5060 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- Soluble in acetone (10 mg/ml) dimethyl sulfoxide (10 mg/ml) and dimethylformamide.
- form
- Crystalline Powder
- pka
- 1.89 · 1.89 ± 0.20, most basic, temperature: 25 °C
- color
- Beige to brown
- Sensitive
- Light Sensitive
- λmax
- 351 nm · 351 nm (MeOH); 342 nm (Buffer pH 7)
- BRN
- 142231 · 142231
- Major Application
- 2 sonogelhybrid · For authentification; dyelasers; color display devices; inks;monitoring underlying corrosion on coated aluminum;photoinitiating systems; recording materials;semiconductor devices; dye-sensitized solar cells(DSCs); mesoporous silica fibers; SiO2 sonogelhybrid materials; textiles; waveguides;whitening agents,
- Biological Applications
- Identifyingbacteria; measuring urinary kallikrein levels;monitoring platinum(iv) reduction and platinum(ii)reactions in cancer cells; as a substrate for measuringadipinylamidases activity, aromatic amino aciddecarboxylases activity, histone deacetylasesactivity, hydrolases/esterases activity,β-lactamases activity, microbial nitroreductasesactivity, penicillin G acylases activity,proteases/proteinases/peptidases activity,glutamyltransferases activity, tryptophanasesactivity; as an effective antitubercular agent; use astemperature sensor,
- InChI
- 1S/C10H9NO2/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5H,11H2,1H3
- InChIKey
- GLNDAGDHSLMOKX-UHFFFAOYSA-N
- SMILES
- CC1=CC(=O)Oc2cc(N)ccc12
- CAS DataBase Reference
- 26093 · 26093-31-2(CAS DataBase Reference)
- FDA UNII
- 3 JCT44X · OCY3JCT44X
- NIST Chemistry Reference
- 7 · Coumarin, 7-amino-4-methyl-(26093-31-2)
- EPA Substance Registry System
- 2 H-1-Benzopyran-2-one, · 2H-1-Benzopyran-2-one, 7-amino-4-methyl- (26093-31-2)
- UNSPSC Code
- 12352204 · 12352204
- NACRES
- 32 · NA.32
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38-20/21/22
- Safety Statements
- 26 · 26-36-37/39
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- TSCA
- TSCA listed
- HS Code
- 32049000 · 32049000
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryMay cause skin and respiratory tract irritation; [MSDSonline] The 3 laser dyes tested for skin sensitization were found to be negative. [Blackwell Synergy - Contact Dermatitis, Volume 21, Issue 3, Page 141-147, September 1989] See Coumarin.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 32049000
- risk_code
- 36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 26-36-37/39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)
Uses & manufacturing
Uses
Coumarins are used as laser dyes. Coumarin 120 (Kodak) is the parent compound of the oldest aminocoumarin laser dye, which is Coumarin 311 (Kodak). [Ullmann: Laser Dyes]
Synthetic Polymer MALDI Matrix Compounds
General Manufacturing Information2H-1-Benzopyran-2-one, 7-amino-4-methyl-: ACTIVE
Applications
UsesCoumarin 120 is widely used fluorophore, well-known for preparing fluorogenic substrates for cystine aminopeptidase and other hydrolases. Used as reference compound in enzyme assays.
Usessuitable for determining polygalacturonase activity
Usesλ max 354 nm in EthanolSuitable as laser dye and used as a fluorescent labeling reagent for trace determination of enzymes.
General Description7-Amino-4-methylcoumarin (coumarin120) is an aminocoumarin laser dye that can emit laser in the range of 370-760 nm. It has three intermolecular hydrogen bonded structures with C-H···O and N-H····O.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
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Additional notes
DefinitionChEBI: Coumarin 120 is a member of 7-aminocoumarins. It has a role as a fluorochrome.
Related reactions
26 records
Compound notes
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