CAS Number5657-19-2
Synonyms2-Furoylglycine; GLYCINE,N-2-FUROYL; Furfuroylglycine; Furoylglycine; MFCD00030606; Pyromucuric acid; Glycine,1-furoyl
Molecular FormulaC7H7NO4
Molecular Weight169.13
Purity≥98%
Density1.28g/cm3
Boiling Point440.6ºC at 760 mmHg
Melting Point163-165 °C (lit.)
Appearancepowder or crystals
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 5657-19-2 |
| Catalog No. | 2A-2199246 |
| Chinese Name | N-(2-糠酰)甘氨酸 |
| Synonyms | 2-Furoylglycine; GLYCINE,N-2-FUROYL; Furfuroylglycine; Furoylglycine; MFCD00030606; Pyromucuric acid; Glycine,1-furoyl |
| Molecular Formula | C7H7NO4 |
| Molecular Weight | 169.13 |
| Purity | ≥98 |
| Density | 1.28g/cm3 |
| Boiling Point | 440.6ºC at 760 mmHg |
| Melting Point | 163-165 °C (lit.) |
| Appearance | powder or crystals |
| Storage Condition | Store in airtight, cool and dry place |
| Application | 2-Furoylglycine is a urinary metabolite in humans and a recognized biomarker of coffee consumption. |
| HTC | 2932190090 |
| MDL Number | MFCD00030606 |
| SMILES | OC(=O)CNC(=O)c1ccco1 |
| InChI | 1S/C7H7NO4/c9-6(10)4-8-7(11)5-2-1-3-12-5/h1-3H,4H2,(H,8,11)(H,9,10) |
| InChI Key | KSPQDMRTZZYQLM-UHFFFAOYSA-N |
| NACRES Code | NA.77 |
| UNSPSC | 12352209 |
| MSDS | msds/201217_1_5657_19_2.pdf |
| Use of | 2-Furoylglycine, a urinary metabolite in human, is a putative biomarker for coffee consumption[1]. Properties Name 2-(furan-2-carbonylamino)acetic acid Synonym More Synonyms 2-Furoylglycine Biological Activity Description 2-Furoylglycine, a urinary metabolite in human, is a putative biomarker for coffee consumption[1]. Related Catalog Research Areas >> Others Human Endogenous Metabolite In Vitro 2-Furoylglycine is an intermediate that can be used in the synthesis of non-nucleoside inhibitors of HCV NS5b RNA polymerase[2]. References [1]. Silke S Heinzmann, et al. 2-Furoylglycine as a Candidate Biomarker of Coffee Consumption. J Agric Food Chem. 2015 Sep 30;63(38):8615-21. [2]. Stephen S Antonysamy, et al. Fragment-based discovery of hepatitis C virus NS5b RNA polymerase inhibitors. Bioorg Med Chem Lett. 2008 May 1;18(9):2990-5. Chemical & Physical Properties Molecular Formula C7H7NO4 Exact Mass 169.03800 PSA 79.54000 LogP 0.48490 Index of Refraction 1.676 InChIKey KSPQDMRTZZYQLM-UHFFFAOYSA-N Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : Glycine, N-2-furoyl- CAS REGISTRY NUMBER : BEILSTEIN REFERENCE NO. : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C7-H7-N-O4 MOLECULAR WEIGHT : WISWESSER LINE NOTATION : T5OJ BVM1VQ HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 106,406,1967 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 106,406,1967 Safety Information Signal Word Warning Hazard Statements H315-H319-H335 Precautionary Statements P261-P305 + P351 + P338 Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves Hazard Codes Xi Safety Phrases 26-36 RIDADR NONH for all modes of transport WGK Germany 2 RTECS MC0555300 HS Code 2932190090 Precursor & DownStream Precursor 3 CAS#:527-69-5 2-Furoyl chloride CAS#:56-40-6 CAS#:88-14-2 Furan-2-carboxy... DownStream 2 CAS#:88-14-2 Furan-2-carboxy... CAS#:56-40-6 |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 6.5% Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2932190090 other compounds containing an unfused furan ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0% |
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