Flunitrazepam H-3
Also known as Flunitrazepam, [Methyl-3H]-,, 2H-1,4-Benzodiazepin-2-one, 5-(2-fluorophenyl)-1,3-dihydro-1-(methyl-t3)-7-nitro-
Key facts
What buyers check first
- CAS number
- 78298-92-7
- Formula
- C16H12FN3O3
- Molar mass
- 319.31 g/mol
- HS code
- 284441
- Category
- Isotope-labelled compounds
What is Flunitrazepam H-3?
Plain description, key identifiers and synonyms
Flunitrazepam H-3 is a chemical substance with the molecular formula C16H12FN3O3 and a molar mass of 319.31 g/mol. Its CAS registry number is 78298-92-7. The IUPAC name is 5-(2-fluorophenyl)-7-nitro-1-(tritritiomethyl)-3H-1,4-benzodiazepin-2-one.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 5-(2-fluorophenyl)-7-nitro-1-(tritritiomethyl)-3H-1,4-benzodiazepin-2-one
- CAS number
- 78298-92-7
- Molecular formula
- C16H12FN3O3
- UNII
- 9H6T522ZKH
- InChIKey
- PPTYJKAXVCCBDU-RLXJOQACSA-N
- InChI
- InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3/i1T3
- Canonical SMILES
- CN1C(=O)CN=C(c2ccccc2F)c2cc([N+](=O)[O-])ccc21
- Isomeric SMILES
- [3H]C([3H])([3H])N1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3F
Synonyms
- Flunitrazepam, [Methyl-3H]-,
- 2H-1,4-Benzodiazepin-2-one, 5-(2-fluorophenyl)-1,3-dihydro-1-(methyl-t3)-7-nitro-
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 319.31 g/molcalc.Computed value |
|---|---|
| Exact mass | 319.1109 Dacalc.Computed value |
| LogP (octanol/water) | 2.55calc.Computed value |
| Topological polar surface area | 75.81 Ųcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 4calc.Computed value |
| Rotatable bonds | 2calc.Computed value |
| Heavy atoms | 23calc.Computed value |
| Rings | 3calc.Computed value |
| Aromatic rings | 2calc.Computed value |
| Fraction sp3 carbons | 0.13calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
O=C1CN=C(c2ccccc2)c2ccccc2N1
3 rings, 18 atoms, the RO-05-2921 ring system.
540 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Flunitrazepam H-3 suppliers
Trading restrictions apply to this substance
Flunitrazepam H-3 is prohibited on CompoundList. Listings, quotes and messages are disabled. This page is kept for information only.
Listing and enquiries are not allowed for this substance.
Reference: UN Convention on Psychotropic Substances 1971, HS 2022 subheading 2933.91 (benzodiazepines and related substances)
Our policy on controlled substancesFlunitrazepam H-3 price
Indicative price range per kg from live supplier offers
Prices are not shown for prohibited substances.
Uses and applications
What the substance is used for, by industry and function
Industries and functions
Regulatory status
Inventories, regulations and trade controls that list this substance
Flunitrazepam H-3 is prohibited on CompoundList. Listings, quotes and messages are disabled. This page is kept for information only.
Listing and enquiries are not allowed for this substance.
Reference: UN Convention on Psychotropic Substances 1971, HS 2022 subheading 2933.91 (benzodiazepines and related substances)
Our policy on controlled substancesHS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Flunitrazepam H-3 is traded under.
Tritium and its compounds, alloys, dispersions (including cermets), ceramic products and…
- Germany45.3%
- Netherlands16.0%
- France * partner reported13.4%
- Spain18.2%
- Netherlands17.9%
- South Korea7.9%
* Partner reported figures, a lower bound.
The HS code shown for Flunitrazepam H-3 is indicative (it is known at chapter level only). Confirm the classification with your customs broker before shipping.
Related chemicals
Parent and salt forms, stereoisomers, similar structures and isomers
Stereoisomers and isotopic forms
Same connectivity, different stereochemistry or isotopes (same InChIKey skeleton)
Similar structures
Nearest neighbours by Morgan fingerprint Tanimoto similarity
![5,5'-Bis(2-fluorophenyl)-1,1'-dimethyl-1H,1'H-[7,7'-bibenzo[e][1,4]diazepine]-2,2'(3H,3'H)-dione chemical structure, C32H24F2N4O2, CAS 87951-81-3](/s/ZCLUIKFUSFMSSU-UHFFFAOYSA-N.svg)
Same formula isomers
Different compounds that share this molecular formula
![N-[5-(4-Fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methoxybenzamide chemical structure, C16H12FN3O3, CAS 865285-36-5](/s/QMCURZRPYWXBCV-UHFFFAOYSA-N.svg)
![[2-(2-Fluoroanilino)-2-oxoethyl] 1H-indazole-3-carboxylate chemical structure, C16H12FN3O3, CAS 380437-89-8](/s/XZQJACFRRSEBPK-UHFFFAOYSA-N.svg)
![N-[5-(4-Fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzamide chemical structure, C16H12FN3O3, CAS 865285-59-2](/s/XGMZUSCWBSVXOQ-UHFFFAOYSA-N.svg)
![N-[5-(4-Fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide chemical structure, C16H12FN3O3, CAS 865285-71-8](/s/YFMXPTBQTPJQLO-UHFFFAOYSA-N.svg)
![3-Cyclopropyl-1-(4-fluorophenyl)-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-B]pyridine-4-carboxylic acid chemical structure, C16H12FN3O3, CAS 2816896-30-5](/s/KZRGEUOSTYIQTO-UHFFFAOYSA-N.svg)
Frequently asked questions
Quick answers about Flunitrazepam H-3, based on the data on this page
What is Flunitrazepam H-3?
What is the CAS number of Flunitrazepam H-3?
What is the molecular formula and weight of Flunitrazepam H-3?
What is Flunitrazepam H-3 used for?
Is Flunitrazepam H-3 hazardous?
What is the HS code of Flunitrazepam H-3?
Can I buy Flunitrazepam H-3 on CompoundList?
Guides for buyers
Practical guides that help when you source, ship or handle Flunitrazepam H-3
- Article, QualityWhat a certificate of analysis should containThe parts of a complete COA, how to read it against your specification, the warning signs of a weak or copied certificate and how to verify results.Read
- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
- Guide, Chemical identityCAS registry numbers explainedWhat a CAS number identifies, how the check digit works, why one chemical can have several numbers and what a CAS number cannot tell you about a product.Read
Explore more in Isotope-labelled compounds or HS code 284441