Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Encyclopedia > Hot Product Listed 5   > 5-Heptenoic acid,7-[2-[5-(4-azidophenyl)-3-hydroxy-1-pentenyl]-3,5-dihydroxycyclopentyl]-,[1R-[1a(Z)...
427-49-6 structure

5-Heptenoic acid,7-[2-[5-(4-azidophenyl)-3-hydroxy-1-pentenyl]-3,5-dihydroxycyclopentyl]-,[1R-[1a(Z),2b(1E,3S*),3a,5a]]- (9CI)

Iupac Name:2-cyclopentyl-2-hydroxy-2-phenylacetic acid
CAS No.:427-49-6
Molecular Weight:220.26434
Molecular Formula:C25H26O6 (isomer)
Names and Identifiers
Synonyms

17-(4-azidophenyl)-18,19,20-trinorprostaglandin E2 Reaxys ID: 6544274

Inchi
InChI=1/C13H16O3/c14-12(15)13(16,11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7,11,16H,4-5,8-9H2,(H,14,15)/p-1/t13-/m0/s1
InChkey
IUPAC Standard InChIKey: WFLUEQCOAQCQLP-UHFFFAOYSA-N
Canonical Smiles
C1CCC(C1)C(C2=CC=CC=C2)(C(=O)O)O
Properties
Density
1.45
Melting Point
147 C
Boiling Point
449.6°Cat760mmHg
Vapour
5.73E-07mmHg at 25°C
Flash Point
515.7°C
HS Code
2918199090
Safety and Handling
Risk Statements
R34
Safety Statements
45-36/37/39-26
Transport
HAZARD
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Serious eye damage, Category 1

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H315 Causes skin irritation

H318 Causes serious eye damage

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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.

Response

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

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

P332+P313 If skin irritation occurs: Get medical advice/attention.

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.

P310 Immediately call a POISON CENTER/doctor/\u2026

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

P312 Call a POISON CENTER/doctor/\u2026if 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:220.26434g/mol
  • Molecular Formula:C25H26O6
  • Exact Mass:220.109944
  • Monoisotopic Mass:220.109944
  • Complexity:252
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:57.5
  • Heavy Atom Count:16
  • 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
Recommended Suppliers
  • Tel:+86-311-85355123
  • Fax:+86-311-85355123
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-519-82698291
  • Fax:86-519-82698295
  • Tel:+86-021-37895188830
  • Fax:+86-021-65979780
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-27-87465837
  • Fax:86-27-87772287
Recommended Suppliers
  • Tel:+86-311-85355123
  • Fax:+86-311-85355123
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-519-82698291
  • Fax:86-519-82698295
  • Tel:+86-021-37895188830
  • Fax:+86-021-65979780
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-27-87465837
  • Fax:86-27-87772287
 
<