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Screening compounds

Nrdc 157

Also known as Nrdc-157, 3-Phenoxybenzyl 3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylate, (3-phenoxyphenyl)methyl (1S,3S)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate

CAS 82691-18-7Formula C21H20Br2O3Molar mass 480.20 g/mol
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Nrdc 157 chemical structure, C21H20Br2O3, CAS 82691-18-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
82691-18-7
Formula
C21H20Br2O3
Molar mass
480.20 g/mol
HS code
291620
Category
Screening compounds

What is Nrdc 157?

Plain description, key identifiers and synonyms

Nrdc 157 is a chemical substance with the molecular formula C21H20Br2O3 and a molar mass of 480.20 g/mol. Its CAS registry number is 82691-18-7. The IUPAC name is (3-phenoxyphenyl)methyl 3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3-phenoxyphenyl)methyl 3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CAS number
82691-18-7
Molecular formula
C21H20Br2O3
InChIKey
GNJFNKNVSCTPDC-UHFFFAOYSA-N
InChI
InChI=1S/C21H20Br2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3
SMILES (canonical and isomeric)
CC1(C(C1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Br)Br)C

Synonyms

  • Nrdc-157
  • 3-Phenoxybenzyl 3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylate
  • (3-phenoxyphenyl)methyl (1S,3S)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate
  • (3-Phenoxyphenyl)methyl 3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarboxylate
  • Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-, (3-phenoxyphenyl)methyl ester

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
480.20 g/molcalc.
Exact mass
477.9779 Dacalc.
LogP (octanol/water)
6.43calc.
Topological polar surface area
35.53 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
6calc.
Heavy atoms
26calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.29calc.
Formal charge
0calc.
Stereocentres
2calc.
Lipinski rule of five
Passes (1 violation)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=C(OCc1cccc(Oc2ccccc2)c1)C1CC1

O=C(OCc1cccc(Oc2ccccc2)c1)C1CC1

3 rings, 20 atoms.

165 other chemicals share this scaffold

Safety 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.

Nrdc 157 suppliers

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Nrdc 157 price

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Nrdc 157 is traded under.

HS 2916.20Indicative HS code

Cyclanic, cyclenic or cycloterpenic monocarboxylic acids, their anhydrides, halides…

World exports in 2024
$489M
−6.1% vs 2023, imports $608M
2019 to 2024
Top exporters
  1. China45.5%
  2. India * partner reported18.6%
  3. Japan11.2%
Top importers
  1. Brazil20.3%
  2. United States15.7%
  3. India * partner reported12.8%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Nrdc 157 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Nrdc 157, based on the data on this page

What is Nrdc 157?

Nrdc 157 is a chemical substance with the molecular formula C21H20Br2O3 and a molar mass of 480.20 g/mol. Its CAS registry number is 82691-18-7. The IUPAC name is (3-phenoxyphenyl)methyl 3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate.

What is the CAS number of Nrdc 157?

The CAS registry number of Nrdc 157 is 82691-18-7.

What is the molecular formula and weight of Nrdc 157?

The molecular formula of Nrdc 157 is C21H20Br2O3 and its molar mass is 480.20 g/mol.

What is Nrdc 157 used for?

Known uses and roles of Nrdc 157 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Nrdc 157 hazardous?

No GHS hazard classification for Nrdc 157 is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Nrdc 157?

Nrdc 157 is usually classified under HS code 291620 (Cyclanic, cyclenic or cycloterpenic monocarboxylic acids, their anhydrides, halides…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Nrdc 157?

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What is the price of Nrdc 157?

Suppliers quote Nrdc 157 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

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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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