| Identification | Back Directory | [Name]
cyclopenol | [CAS]
20007-85-6 | [Synonyms]
cyclopenol
NSC 604990
Cyclophenol
(–)-Cyclopenol
Cyclopenol
DISCONTINUED
(-)-3'-(3-Hydroxyphenyl)-4-methylspiro[3H-1,4-benzodiazepine-3,2'-oxirane]-2,5(1H,4H)-dione
Spiro[3H-1,4-benzodiazepine-3,2'-oxirane]-2,5(1H,4H)-dione, 3'-(3-hydroxyphenyl)-4-methyl-, (2'S,3'R)- | [Molecular Formula]
C17H14N2O4 | [MDL Number]
MFCD24849291 | [MOL File]
20007-85-6.mol | [Molecular Weight]
310.3 |
| Chemical Properties | Back Directory | [Melting point ]
215℃ (decomposition) | [Boiling point ]
633.2±55.0 °C(Predicted) | [density ]
1.50±0.1 g/cm3(Predicted) | [storage temp. ]
-20°C | [solubility ]
DMSO: soluble; Ethanol: soluble; Methanol: soluble | [form ]
A solid | [pka]
9.62±0.10(Predicted) | [color ]
Off-white | [Major Application]
metabolomics
vitamins, nutraceuticals, and natural products | [InChI]
1S/C17H14N2O4/c1-19-15(21)12-7-2-3-8-13(12)18-16(22)17(19)14(23-17)10-5-4-6-11(20)9-10/h2-9,14,20H,1H3,(H,18,22)/t14-,17+/m1/s1 | [InChIKey]
BDDNYDPRCCDQQJ-PBHICJAKSA-N | [SMILES]
N1([C@@]3(O[C@@H]3c4cc(ccc4)O)C(=O)Nc2c(cccc2)C1=O)C |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,N | [Risk Statements ]
22-50 | [Safety Statements ]
61 | [RIDADR ]
UN 3077 9 / PGIII | [WGK Germany ]
3 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral
Aquatic Acute 1
Aquatic Chronic 1 |
|
| Company Name: |
Energy Chemical
|
| Tel: |
021-58432009 400-005-6266 |
| Website: |
http://www.energy-chemical.com |
| Company Name: |
Merck KGaA
|
| Tel: |
21-20338288 |
| Website: |
www.sigmaaldrich.cn |
|