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Home> Encyclopedia > Hot Product Listed 5   > 5-Isoquinolinesulfonamide,N-[2-[[3-(4-chlorophenyl)-2-propen-1-yl]amino]ethyl]-
13159-52-9 structure

5-Isoquinolinesulfonamide,N-[2-[[3-(4-chlorophenyl)-2-propen-1-yl]amino]ethyl]-

Iupac Name:(3-chloro-2-hydroxypropyl) 2-methylprop-2-enoate
CAS No.:13159-52-9
Molecular Weight:178.612
Molecular Formula:C20H16O8 (isomer)
Names and Identifiers
Synonyms

5-Isoquinolinesulfonamide,N-[2-[[3-(4-chlorophenyl)-2-propenyl]amino]ethyl]- (9CI) H 86 H 86(vasodilator)

Inchi
InChI=1S/C7H11ClO3/c1-5(2)7(10)11-4-6(9)3-8/h6,9H,1,3-4H2,2H3
InChkey
DDKMFQGAZVMXQV-UHFFFAOYSA-N
Canonical Smiles
CC(=C)C(=O)OCC(CCl)O
Properties
Density
1.15g/cm3
Boiling Point
312.5°Cat760mmHg
Vapour
0.00028mmHg at 25°C
Refractive Index
n20/D 1.475(lit.)
HS Code
2916140000
Safety and Handling
Risk Statements
R22
Safety Statements
Hazard Codes XnRisk Statements 22-38-41-43Safety Statements 26-36WGK Germany 3
Hazard Note
H302; H315; H317; H318
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Eye irritation, Category 2

Acute toxicity - Inhalation, Category 3

Germ cell mutagenicity, Category 2

Carcinogenicity, Category 2

Reproductive toxicity, Category 1B

Specific target organ toxicity \u2013 single exposure, Category 1

Specific target organ toxicity \u2013 repeated exposure, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H319 Causes serious eye irritation

H331 Toxic if inhaled

H341 Suspected of causing genetic defects

H351 Suspected of causing cancer

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

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

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

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.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

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.

P311 Call a POISON CENTER/doctor/\u2026

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

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

P308+P311 IF exposed or concerned: Call a POISON CENTER/doctor/...

P314 Get medical advice/attention if you feel unwell.

Storage

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

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:178.612g/mol
  • Molecular Formula:C20H16O8
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.2
  • Exact Mass:178.04
  • Monoisotopic Mass:178.04
  • Complexity:156
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:46.5A^2
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBgMAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgIACAAADBeggEICCAAABgCI AgDSCAAAAAAAAAAAAAEAA0ABFAAAIQACAAAAAAADIIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:(215) 364-1155
  • Fax:215-364-1583
  • Tel:+86-21-62960152,61525205,61538832,61538837
  • Fax:
  • Tel:852-29738324
  • Fax:+86-23-86092822
  • Tel:852-852-81916999
  • Fax:
 
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