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Impurities and reference standards

5-Chlorohexanoyl chloride

Also known as Apixaban Impurity 74, Apixaban Impurity 37, 5-chlorohexanoylchloride

CAS 99585-01-0Formula C6H10Cl2OMolar mass 169.05 g/molEC 845-996-5
GHS signal word: Danger. Pictograms: Corrosive, Harmful or irritant
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5-Chlorohexanoyl chloride chemical structure, C6H10Cl2O, CAS 99585-01-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
99585-01-0
Formula
C6H10Cl2O
Molar mass
169.05 g/mol
EC number
845-996-5
HS code
291590
Category
Impurities and reference standards

What is 5-Chlorohexanoyl chloride?

Plain description, key identifiers and synonyms

5-Chlorohexanoyl chloride is a chemical substance with the molecular formula C6H10Cl2O and a molar mass of 169.05 g/mol. Its CAS registry number is 99585-01-0.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-chlorohexanoyl chloride
CAS number
99585-01-0
EC number
845-996-5
Molecular formula
C6H10Cl2O
MDL number
MFCD20623759
InChIKey
XOMSOSIRNGNUSH-UHFFFAOYSA-N
InChI
InChI=1S/C6H10Cl2O/c1-5(7)3-2-4-6(8)9/h5H,2-4H2,1H3
SMILES (canonical and isomeric)
CC(CCCC(=O)Cl)Cl

Synonyms

  • Apixaban Impurity 74
  • Apixaban Impurity 37
  • 5-chlorohexanoylchloride
  • 5-aChloro-hexanoyl Chloride
  • Hexanoyl chloride, 5-chloro-
  • 5-chlorohexanoyl chloride? (Apixaban Impurity
  • 5-chlorohexanoyl chloride? (Apixaban Impurity pound(c)

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
169.05 g/molcalc.
Exact mass
168.0109 Dacalc.
LogP (octanol/water)
2.55calc.
Topological polar surface area
17.07 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
4calc.
Heavy atoms
9calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.83calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS05: Corrosive
Corrosive
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H227Combustible liquid.
  • H314Causes severe skin burns and eye damage.
  • H335May cause respiratory irritation.
Precautionary statements (19)
  • P210Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P330 + P331If swallowed: Rinse mouth. Do not induce vomiting.
  • P302 + P361 + P354If on skin: Take off immediately all contaminated clothing. Immediately rinse with water for several minutes.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P354 + P338If in eyes: Immediately rinse with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P316Get emergency medical help immediately.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P363Wash contaminated clothing before reuse.
  • P370 + P378In case of fire: Use appropriate media to extinguish.
  • P403Store in a well-ventilated place.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • 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

5-Chlorohexanoyl chloride suppliers

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5-Chlorohexanoyl chloride price

Indicative price range per kg from live supplier offers

No published prices right now

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 5-Chlorohexanoyl chloride is traded under.

HS 2915.90Indicative HS code

Saturated acyclic monocarboxylic acids, anhydrides, halides, peroxides, peroxyacids and halogenated…

World exports in 2024
$3.42B
+5.6% vs 2023, imports $3.55B
2019 to 2024
Top exporters
  1. Indonesia15.9%
  2. Germany13.0%
  3. Malaysia12.4%
Top importers
  1. China14.4%
  2. Netherlands11.7%
  3. United States11.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for 5-Chlorohexanoyl chloride is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 5-Chlorohexanoyl chloride, based on the data on this page

What is 5-Chlorohexanoyl chloride?

5-Chlorohexanoyl chloride is a chemical substance with the molecular formula C6H10Cl2O and a molar mass of 169.05 g/mol. Its CAS registry number is 99585-01-0.

What is the CAS number of 5-Chlorohexanoyl chloride?

The CAS registry number of 5-Chlorohexanoyl chloride is 99585-01-0.

What is the molecular formula and weight of 5-Chlorohexanoyl chloride?

The molecular formula of 5-Chlorohexanoyl chloride is C6H10Cl2O and its molar mass is 169.05 g/mol.

Is 5-Chlorohexanoyl chloride hazardous?

5-Chlorohexanoyl chloride carries the GHS signal word "Danger". Main hazards: combustible liquid, causes severe skin burns and eye damage, may cause respiratory irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of 5-Chlorohexanoyl chloride?

5-Chlorohexanoyl chloride is usually classified under HS code 291590 (Saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 5-Chlorohexanoyl chloride?

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What is the price of 5-Chlorohexanoyl chloride?

Suppliers quote 5-Chlorohexanoyl chloride 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 5-Chlorohexanoyl chloride

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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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