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Impurities and reference standards

Hexan-3-yl carbonochloridate

Also known as Dabigatran impurity 22, 3-hexyl chloroformate, Hexan-3-yl chloroformate

CAS 58906-62-0Formula C7H13ClO2Molar mass 164.63 g/mol
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Hexan-3-yl carbonochloridate chemical structure, C7H13ClO2, CAS 58906-62-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
58906-62-0
Formula
C7H13ClO2
Molar mass
164.63 g/mol
HS code
291590
Category
Impurities and reference standards

What is Hexan-3-yl carbonochloridate?

Plain description, key identifiers and synonyms

Hexan-3-yl carbonochloridate is a chemical substance with the molecular formula C7H13ClO2 and a molar mass of 164.63 g/mol. Its CAS registry number is 58906-62-0.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
hexan-3-yl carbonochloridate
CAS number
58906-62-0
Molecular formula
C7H13ClO2
UNII
K37H4L3YKL
MDL number
MFCD30538020
InChIKey
ZMSXSTNHWZHSLE-UHFFFAOYSA-N
InChI
InChI=1S/C7H13ClO2/c1-3-5-6(4-2)10-7(8)9/h6H,3-5H2,1-2H3
SMILES (canonical and isomeric)
CCCC(CC)OC(=O)Cl

Synonyms

  • Dabigatran impurity 22
  • 3-hexyl chloroformate
  • Hexan-3-yl chloroformate
  • Dabigatran Impurity 34
  • Carbonochloridic acid, 1-ethylbutyl ester
  • 1-Ethylbutyl carbonochloridate
  • C7H13ClO2
  • Dabigatran Etexilate Impurity 58
  • 3-Hexanyl carbonochloridate
  • Dabigatranimpurity22
  • 3-Hexyl Chloroformate (>80%)
  • Dabigatran Etexilate iMpurity 35
  • 1-Ethylbutyl-carbonochloridic acid ester
  • Chlorine formic acid - 1 - ethyl butyrate
  • hexan-3-yl carbonochloridate? (Dabigatran 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
164.63 g/molcalc.
Exact mass
164.0604 Dacalc.
LogP (octanol/water)
2.94calc.
Topological polar surface area
26.3 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
4calc.
Heavy atoms
10calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.86calc.
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

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.

Hexan-3-yl carbonochloridate suppliers

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Where suppliers are based

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Hexan-3-yl carbonochloridate 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

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 Hexan-3-yl carbonochloridate 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 Hexan-3-yl carbonochloridate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Hexan-3-yl carbonochloridate, based on the data on this page

What is Hexan-3-yl carbonochloridate?

Hexan-3-yl carbonochloridate is a chemical substance with the molecular formula C7H13ClO2 and a molar mass of 164.63 g/mol. Its CAS registry number is 58906-62-0.

What is the CAS number of Hexan-3-yl carbonochloridate?

The CAS registry number of Hexan-3-yl carbonochloridate is 58906-62-0.

What is the molecular formula and weight of Hexan-3-yl carbonochloridate?

The molecular formula of Hexan-3-yl carbonochloridate is C7H13ClO2 and its molar mass is 164.63 g/mol.

Is Hexan-3-yl carbonochloridate hazardous?

No GHS hazard classification for Hexan-3-yl carbonochloridate 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 Hexan-3-yl carbonochloridate?

Hexan-3-yl carbonochloridate 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 Hexan-3-yl carbonochloridate?

CompoundList lists 1 supplier of Hexan-3-yl carbonochloridate in Slovakia. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Hexan-3-yl carbonochloridate?

Suppliers quote Hexan-3-yl carbonochloridate 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 Hexan-3-yl carbonochloridate

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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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