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Aromatic building blocks

4bcHtFMeFB

Also known as 4'-(4'-butyl-[1,1'-bi(cyclohexan)]-4-yl)-3-fluoro-4-(trifluoromethyl)-1,1'-biphenyl, 4a(2)-[(trans,trans)-4a(2)-Butyl[1,1a(2)-bicyclohexyl]-4-yl]-3-fluoro-4-(trifluoromethyl)-1,1a(2)-biphenyl

CAS 1393117-59-3Formula C29H36F4Molar mass 460.60 g/mol
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4bcHtFMeFB chemical structure, C29H36F4, CAS 1393117-59-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1393117-59-3
Formula
C29H36F4
Molar mass
460.60 g/mol
HS code
290399
Category
Aromatic building blocks

What is 4bcHtFMeFB?

Plain description, key identifiers and synonyms

4bcHtFMeFB is a chemical substance with the molecular formula C29H36F4 and a molar mass of 460.60 g/mol. Its CAS registry number is 1393117-59-3. The IUPAC name is 4-[4-[4-(4-butylcyclohexyl)cyclohexyl]phenyl]-2-fluoro-1-(trifluoromethyl)benzene.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-[4-[4-(4-butylcyclohexyl)cyclohexyl]phenyl]-2-fluoro-1-(trifluoromethyl)benzene
CAS number
1393117-59-3
Molecular formula
C29H36F4
InChIKey
QAURPJAQIHSJGU-UHFFFAOYSA-N
InChI
InChI=1S/C29H36F4/c1-2-3-4-20-5-7-21(8-6-20)22-9-11-23(12-10-22)24-13-15-25(16-14-24)26-17-18-27(28(30)19-26)29(31,32)33/h13-23H,2-12H2,1H3
SMILES (canonical and isomeric)
CCCCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)C4=CC(=C(C=C4)C(F)(F)F)F

Synonyms

  • 4'-(4'-butyl-[1,1'-bi(cyclohexan)]-4-yl)-3-fluoro-4-(trifluoromethyl)-1,1'-biphenyl
  • 4a(2)-[(trans,trans)-4a(2)-Butyl[1,1a(2)-bicyclohexyl]-4-yl]-3-fluoro-4-(trifluoromethyl)-1,1a(2)-biphenyl

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
460.60 g/molcalc.
Exact mass
460.2753 Dacalc.
LogP (octanol/water)
9.78calc.
Topological polar surface area
0 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
0calc.
Rotatable bonds
6calc.
Heavy atoms
33calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.59calc.
Formal charge
0calc.
Stereocentres
0calc.
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, c1ccc(-c2ccc(C3CCC(C4CCCCC4)CC3)cc2)cc1

c1ccc(-c2ccc(C3CCC(C4CCCCC4)CC3)cc2)cc1

4 rings, 24 atoms.

18 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.

4bcHtFMeFB suppliers

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4bcHtFMeFB price

Indicative price range per kg from live supplier offers

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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 4bcHtFMeFB is traded under.

HS 2903.99Indicative HS code

Halogenated derivatives of aromatic hydrocarbons, other

World exports in 2024
$798M
−15.8% vs 2023, imports $786M
2019 to 2024
Top exporters
  1. China51.0%
  2. United States15.9%
  3. Belgium8.6%
Top importers
  1. India * partner reported16.1%
  2. United States14.7%
  3. Germany10.9%

* Partner reported figures, a lower bound.

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

The HS code shown for 4bcHtFMeFB is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 4bcHtFMeFB, based on the data on this page

What is 4bcHtFMeFB?

4bcHtFMeFB is a chemical substance with the molecular formula C29H36F4 and a molar mass of 460.60 g/mol. Its CAS registry number is 1393117-59-3. The IUPAC name is 4-[4-[4-(4-butylcyclohexyl)cyclohexyl]phenyl]-2-fluoro-1-(trifluoromethyl)benzene.

What is the CAS number of 4bcHtFMeFB?

The CAS registry number of 4bcHtFMeFB is 1393117-59-3.

What is the molecular formula and weight of 4bcHtFMeFB?

The molecular formula of 4bcHtFMeFB is C29H36F4 and its molar mass is 460.60 g/mol.

What is 4bcHtFMeFB used for?

Known uses and roles of 4bcHtFMeFB include building blocks in research and laboratory.

Is 4bcHtFMeFB hazardous?

No GHS hazard classification for 4bcHtFMeFB 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 4bcHtFMeFB?

4bcHtFMeFB is usually classified under HS code 290399 (Halogenated derivatives of aromatic hydrocarbons, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 4bcHtFMeFB?

Post a free request on CompoundList and suppliers of 4bcHtFMeFB will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 4bcHtFMeFB?

Suppliers quote 4bcHtFMeFB 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

Practical guides that help when you source, ship or handle 4bcHtFMeFB

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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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