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Nitriles, nitro and azo compounds

Calcion

Also known as Sodium 5-((1,8-dihydroxy-3,6-disulphonaphthalen-2-yl)azo)-4-hydroxy-3((8-hydroxy-3,6-disulphonaphthalen-1-yl)azo)naphthalene-2,7-disulphonate

CAS 3810-39-7Formula C30H14N4Na6O22S6Molar mass 1,112.79 g/molEC 223-283-4
GHS signal word: Warning. Pictograms: Harmful or irritant
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Calcion chemical structure, C30H14N4Na6O22S6, CAS 3810-39-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
3810-39-7
Formula
C30H14N4Na6O22S6
Molar mass
1,112.79 g/mol
EC number
223-283-4
HS code
292700
Category
Nitriles, nitro and azo compounds

What is Calcion?

Plain description, key identifiers and synonyms

Calcion is a chemical substance with the molecular formula C30H14N4Na6O22S6 and a molar mass of 1,112.79 g/mol. Its CAS registry number is 3810-39-7. The IUPAC name is hexasodium, 5-[(1,8-dihydroxy-3,6-disulfonatonaphthalen-2-yl)diazenyl]-4-hydroxy-3-[(8-hydroxy-3,6-disulfonatonaphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
hexasodium, 5-[(1,8-dihydroxy-3,6-disulfonatonaphthalen-2-yl)diazenyl]-4-hydroxy-3-[(8-hydroxy-3,6-disulfonatonaphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonate
CAS number
3810-39-7 CAS number cross-checked
EC number
223-283-4
Molecular formula
C30H14N4Na6O22S6
InChIKey
JCVAGGLLUIBFSY-UHFFFAOYSA-H
InChI
InChI=1S/C30H20N4O22S6.6Na/c35-20-9-16(59(45,46)47)2-11-1-14(57(39,40)41)7-18(24(11)20)31-33-27-22(61(51,52)53)5-12-3-15(58(42,43)44)8-19(25(12)29(27)37)32-34-28-23(62(54,55)56)6-13-4-17(60(48,49)50)10-21(36)26(13)30(28)38;;;;;;/h1-10,35-38H,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;;;/q;6*+1/p-6
SMILES (canonical and isomeric)
C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)[O-])N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC5=C(C6=C(C=C(C=C6C=C5S(=O)(=O)[O-])S(=O)(=O)[O-])O)O)O)O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

Synonyms

  • Sodium 5-((1,8-dihydroxy-3,6-disulphonaphthalen-2-yl)azo)-4-hydroxy-3((8-hydroxy-3,6-disulphonaphthalen-1-yl)azo)naphthalene-2,7-disulphonate

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
1,112.79 g/molcalc.
Exact mass
1,111.781 Dacalc.
LogP (octanol/water)
-15.75calc.
Topological polar surface area
473.6 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
26calc.
Rotatable bonds
10calc.
Heavy atoms
68calc.
Rings
6calc.
Aromatic rings
6calc.
Fraction sp3 carbons
0calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
7calc.
Lipinski rule of five
Fails (2 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, c1ccc2cc(N=Nc3cccc4ccc(N=Nc5cccc6ccccc56)cc34)ccc2c1

c1ccc2cc(N=Nc3cccc4ccc(N=Nc5cccc6ccccc56)cc34)ccc2c1

6 rings, 34 atoms.

2 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

Hazard statements

  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
Precautionary statements (16)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • 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

Calcion suppliers

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Calcion 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

United States

  • TSCA inventory (USA)
    Status: Inactive in US commerce

HS code and trade data

Customs classification and reported world trade statistics

Global trade

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

HS 2927.00Indicative HS code

Diazo-, azo- or azoxy compounds

World exports in 2024
$571M
+6.1% vs 2023, imports $525M
2019 to 2024
Top exporters
  1. China47.0%
  2. Indonesia13.1%
  3. Japan9.3%
Top importers
  1. United States10.2%
  2. India * partner reported9.1%
  3. South Korea9.1%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Calcion, based on the data on this page

What is Calcion?

Calcion is a chemical substance with the molecular formula C30H14N4Na6O22S6 and a molar mass of 1,112.79 g/mol. Its CAS registry number is 3810-39-7.

What is the CAS number of Calcion?

The CAS registry number of Calcion is 3810-39-7.

What is the molecular formula and weight of Calcion?

The molecular formula of Calcion is C30H14N4Na6O22S6 and its molar mass is 1,112.79 g/mol.

Is Calcion hazardous?

Calcion carries the GHS signal word "Warning". Main hazards: causes skin irritation, causes serious eye irritation, may cause respiratory irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Calcion?

Calcion is usually classified under HS code 292700 (Diazo-, azo- or azoxy-compounds). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Calcion?

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What is the price of Calcion?

Suppliers quote Calcion 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 Calcion

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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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