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Isotope-labelled compounds

Diazepam-d5

Also known as Diazepam-d5 (CRM), Diazepam-d5 (phenyl-d5), 7-chloro-1-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-3H-1,4-benzodiazepin-2-one

CAS 65854-76-4Formula C16H13ClN2OMolar mass 289.78 g/molEC 636-244-5
GHS signal word: Warning. Pictograms: Harmful or irritant, Serious health hazard Prohibited, not for trade
Why it is not for trade
Diazepam-d5 chemical structure, C16H13ClN2O, CAS 65854-76-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
65854-76-4
Formula
C16H13ClN2O
Molar mass
289.78 g/mol
EC number
636-244-5
HS code
284590
Category
Isotope-labelled compounds

What is Diazepam-d5?

Plain description, key identifiers and synonyms

Diazepam-d5 is a chemical substance with the molecular formula C16H13ClN2O and a molar mass of 289.78 g/mol. Its CAS registry number is 65854-76-4. The IUPAC name is 7-chloro-1-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-3H-1,4-benzodiazepin-2-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
7-chloro-1-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-3H-1,4-benzodiazepin-2-one
CAS number
65854-76-4 CAS number cross-checked
EC number
636-244-5
Molecular formula
C16H13ClN2O
InChIKey
AAOVKJBEBIDNHE-VIQYUKPQSA-N
InChI
InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3/i2D,3D,4D,5D,6D
Canonical SMILES
CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21
Isomeric SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])C2=NCC(=O)N(C3=C2C=C(C=C3)Cl)C)[2H])[2H]

Synonyms

  • Diazepam-d5 (CRM)
  • Diazepam-d5 (phenyl-d5)
  • 7-chloro-1-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-3H-1,4-benzodiazepin-2-one
  • Diazepam-d5 (1.0mg/ml in Acetonitrile)
  • Diazepam d5
  • Diazepam-D5, 1mg/ml in Methanol
  • Diazepam-D5 0.1 mg/ml in Methanol
  • Diazepam-D5 1.0 mg/ml in Methanol
  • Diazepam-D5, 0.1mg/ml in Methanol
  • 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-1-methyl-5-(phenyl-2,3,4,5,6-d5)-
  • 7-Chloro-1-methyl-5-(~2~H_5_)phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one

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
289.78 g/molcalc.
Exact mass
289.103 Dacalc.
LogP (octanol/water)
3.15calc.
Topological polar surface area
32.67 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
1calc.
Heavy atoms
20calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.13calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1CN=C(c2ccccc2)c2ccccc2N1

O=C1CN=C(c2ccccc2)c2ccccc2N1

3 rings, 18 atoms, the RO-05-2921 ring system.

540 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H302Harmful if swallowed.
  • H312Harmful in contact with skin.
  • H332Harmful if inhaled.
  • H351Suspected of causing cancer.
Precautionary statements (16)
  • P203Obtain, read and follow all safety instructions before use.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P317Get medical help.
  • P318If exposed or concerned, get medical advice.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Diazepam-d5 suppliers

Trading restrictions apply to this substance

Psychotropic substance

Diazepam-d5 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 substances

Diazepam-d5 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

Regulatory status

Inventories, regulations and trade controls that list this substance

Psychotropic substance

Diazepam-d5 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 substances

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Diazepam-d5 is traded under.

HS 2845.90Indicative HS code

Compounds, inorganic or organic, of such isotopes, whether or not chemically defined

World exports in 2024
$2.67B
+19.0% vs 2023, imports $1.67B
2019 to 2024
Top exporters
  1. Ireland55.3%
  2. Hong Kong11.8%
  3. United States10.7%
Top importers
  1. China24.3%
  2. Ireland21.9%
  3. South Korea13.3%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Diazepam-d5 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Diazepam-d5, based on the data on this page

What is Diazepam-d5?

Diazepam-d5 is a chemical substance with the molecular formula C16H13ClN2O and a molar mass of 289.78 g/mol. Its CAS registry number is 65854-76-4. The IUPAC name is 7-chloro-1-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-3H-1,4-benzodiazepin-2-one.

What is the CAS number of Diazepam-d5?

The CAS registry number of Diazepam-d5 is 65854-76-4.

What is the molecular formula and weight of Diazepam-d5?

The molecular formula of Diazepam-d5 is C16H13ClN2O and its molar mass is 289.78 g/mol.

What is Diazepam-d5 used for?

Known uses and roles of Diazepam-d5 include isotope-labelled compounds in research and laboratory.

Is Diazepam-d5 hazardous?

Diazepam-d5 carries the GHS signal word "Warning". Main hazards: harmful if swallowed, harmful in contact with skin, harmful if inhaled. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Diazepam-d5?

Diazepam-d5 is usually classified under HS code 284590 (Isotopes other than those of heading 2844, compounds, inorganic or organic, of such…). This is indicative, confirm it with your customs broker before shipping.

Can I buy Diazepam-d5 on CompoundList?

No. Diazepam-d5 is on our prohibited list, so listings, quotes and messages for it are disabled. This page is kept for information only.

Guides for buyers

Practical guides that help when you source, ship or handle Diazepam-d5

Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page

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