Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Encyclopedia > Hot Product Listed 5   > 5-Chloro-2-hydroxy-pyrimidine
7306-68-5 structure

5-Chloro-2-hydroxy-pyrimidine

Iupac Name:6-chloro-9-(oxan-2-yl)purine
CAS No.:7306-68-5
EINECS(EC#): 262-216-3
Molecular Weight:238.675
Molecular Formula:C12H14CL2N2O (isomer)
Properties
Density
0.969
Flash Point
157°C
HS Code
2934999090
Safety and Handling
Specification

The 5-Chloro-2-pyrimidinol with the cas number 214290-50-3 is also called 2-Pyrimidinol,5-chloro-. The systematic name is 5-chloropyrimidin-2(1H)-one. Its molecular formula is C4H3ClN2O. The product category is pyrimidine.

The properties of the chemical are: (1)ACD/LogP: -1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.43; (4)ACD/LogD (pH 7.4): -1.43; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.98; (8)ACD/KOC (pH 7.4): 3.94; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 32.67 Å2; (13)Index of Refraction: 1.632; (14)Molar Refractivity: 29.98 cm3; (15)Molar Volume: 84 cm3; (16)Polarizability: 11.88×10-24cm3; (17)Surface Tension: 54.1 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC=1\C=N/C(=O)NC=1
(2)InChI: InChI=1/C4H3ClN2O/c5-3-1-6-4(8)7-2-3/h1-2H,(H,6,7,8)
(3)InChIKey: OCSYCDVQABSEPJ-UHFFFAOYAA

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity – single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

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.

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/…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:238.675g/mol
  • Molecular Formula:C12H14CL2N2O
  • Compound Is Canonicalized:True
  • XLogP3-AA:0.8
  • Exact Mass:238.062
  • Monoisotopic Mass:238.062
  • Complexity:255
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:52.8A^2
  • 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
  • CACTVS Substructure Key Fingerprint: AAADccBzoAAEAAAAAAAAAAAAAAAAAWAAAAAsSAAAAAAAAFgB+AAAHgIAAAAACArhlyYF8L8MFACg AQZhZACAgC0RFKABUCAoVhCASAJAyEBeBAgMAALAACCQEAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:+86-311-85355123
  • Fax:+86-311-85355123
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-21-33758180
  • Fax:86-21-51685790
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-21-61124658
  • Fax:86-21-61294103
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-21-61723543
  • Fax:86-21-33250189
  • Tel:86-311-66600578
  • Fax:86-311-66600576
Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:+86-311-85355123
  • Fax:+86-311-85355123
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-21-33758180
  • Fax:86-21-51685790
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-21-61124658
  • Fax:86-21-61294103
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-21-61723543
  • Fax:86-21-33250189
  • Tel:86-311-66600578
  • Fax:86-311-66600576
 
<