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Home> Encyclopedia >   /  Immune Function Agents  /  Pharmaceutical Intermediates  /  Pharmaceutical  /  Pharmaceuticals and Biochemicals  /  Organic Intermediate
Chlorinated copper phthalocyanine monosulfonic acid, laurylamine salt structure
Chlorinated copper phthalocyanine monosulfonic acid, laurylamine salt structure

Chlorinated copper phthalocyanine monosulfonic acid, laurylamine salt

Iupac Name:1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide
CAS No.:36791-04-5
Molecular Weight:244.20500
1. Names and Identifiers
1.1 Name
Chlorinated copper phthalocyanine monosulfonic acid, laurylamine salt
1.2 Synonyms

Cuprate(1-), [29H,31H-phthalocyaninesulfonato( 3-)-N29,N30,N31,N32]-, chlorinated, compds. with 1-dodecanamine Cuprate, [29H,31H-phthalocyaninesulfonato-N29,N30,N31,N32]-, chlorinated, compds. with 1-dodecanamine

1.3 CAS No.
1.4 CID
1.5 Molecular Formula
C29H43NO7 (isomer)
1.6 Inchi
1.7 InChkey
1.8 Canonical Smiles
1.9 Isomers Smiles
2. 3D Conformer
3. Properties
3.1 Melting Point
3.2 Vapour
5.1X10-13 mm Hg at 25 deg C (est)
3.3 Refractive Index
-36 ° (C=1, H2O)
4. Safety and Handling
4.1 Risk Statements
4.2 Safety Statements
4.3 HazardClass
4.3 Transport
UN 3152 9/PG 2

2.Hazard identification

2.1 Classification of the substance or mixture

Skin sensitization, Category 1

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

Germ cell mutagenicity, Category 2

Reproductive toxicity, Category 2

Specific target organ toxicity \u2013 repeated exposure, Category 2

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 3

2.2 GHS label elements, including precautionary statements

Signal word


Hazard statement(s)

H317 May cause an allergic skin reaction

H319 Causes serious eye irritation

H335 May cause respiratory irritation

H341 Suspected of causing genetic defects

H361 Suspected of damaging fertility or the unborn child

H373 May cause damage to organs through prolonged or repeated exposure

H412 Harmful to aquatic life with long lasting effects

Precautionary statement(s)

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P272 Contaminated work clothing should not be allowed out of the workplace.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P264 Wash ... thoroughly after handling.

P271 Use only outdoors or in a well-ventilated area.

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P273 Avoid release to the environment.


P302+P352 IF ON SKIN: Wash with plenty of water/...

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

P321 Specific treatment (see ... on this label).

P362+P364 Take off contaminated clothing and wash it before reuse.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

P308+P313 IF exposed or concerned: Get medical advice/ attention.

P314 Get medical advice/attention if you feel unwell.


P403+P233 Store in a well-ventilated place. Keep container tightly closed.

P405 Store locked up.


P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification


6. Computational chemical data
  • Molecular Weight:244.20500g/mol
  • Molecular Formula:C29H43NO7
  • XLogP3-AA:_1.8
  • Exact Mass:244.08077
  • Monoisotopic Mass:244.08077
  • Complexity:304
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:144
  • Heavy Atom Count:17
  • Defined Atom Stereocenter Count:4
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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