Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Vat Dye  /  Pharmaceutical Intermediates  /  Pharmaceutical  /  Other Chemicals  /  Organic Intermediates
3-CHLORO-5-IODONITROBENZENE structure
3-CHLORO-5-IODONITROBENZENE structure

3-CHLORO-5-IODONITROBENZENE

Iupac Name:(2R,3S,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CAS No.:5536-17-4
Molecular Weight:267.24132
1. Names and Identifiers
1.1 Name
3-CHLORO-5-IODONITROBENZENE
1.2 Synonyms

1-chloro-3-iodo-5-nitrobenzene Benzene, 1-chloro-3-iodo-5-nitro-

1.3 CAS No.
5536-17-4
1.4 CID
21704
1.5 Molecular Formula
C7H4CL2N4 (isomer)
1.6 Inchi
InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7+,10-/m1/s1
1.7 InChkey
OIRDTQYFTABQOQ-UHTZMRCNSA-N
1.8 Canonical Smiles
C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N
1.9 Isomers Smiles
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N
2. 3D Conformer
3. Properties
3.1 Melting Point
260-265 °C (dec.)
3.2 Boiling Point
189.1±35.0 °C(Predicted)
3.3 Vapour
6.0X10-15 mm Hg at 25 °C (est)
3.4 Refractive Index
1.907
4. Safety and Handling
4.1 Risk Statements
R63
4.2 Safety Statements
36/37-36-26
4.3 HazardClass
6.1(a)
4.4 Hazard Note
H361
4.5 PackingGroup
II
4.6 Transport
2811
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Reproductive toxicity, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H361 Suspected of damaging fertility or the unborn child

Precautionary statement(s)
Prevention

P201 Obtain special instructions before use.

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

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

Response

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

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

6. Computational chemical data
  • Molecular Weight:267.24132g/mol
  • Molecular Formula:C7H4CL2N4
  • XLogP3-AA:_1.1
  • Exact Mass:267.096754
  • Monoisotopic Mass:267.096754
  • Complexity:335
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:140
  • Heavy Atom Count:19
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:4
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
8. Recommended Suppliers
Global142SuppliersView all >>
  • Products:xylazine hcl,phenacetin,4-Methylpropiophenone,(2-Bromoethyl)benzene,4-Methoxybenzoyl chloride
  • Tel:86-311-19930599843
  • Email:cindy@hbyingong.com
High quality API Vidarabine CAS 5536-17-4 with big discount
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 15 USD/Gram
  • Time: 2021/08/25
Inquire
  • Products:Pharmaceutical intermediates Pesticide intermediates Food Additives Custom synthesis
  • Tel:+86-311-8985004
  • Email:rhea@zk-chem.com
Vidarabine
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Gram
  • Time: 2021/06/10
Inquire
  • Products:Pharmaceutical raw materials,Chemical reagent, Food aditives,Plant ExtracPharmaceutical and pesticide intermediates.
  • Tel:86-431-81915458
  • Email:cathytan@jltely.com
9-beta-D-Arabinofuranosyladenine
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Gram
  • Time: 2020/11/27
Inquire
  • Products:Chemical products
  • Tel:86-571-88938639
  • Email:sales-gc@chinadayangchem.com
Adenine-9-beta-D-arabinofuranoside
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 2 USD/Kilogram
  • Time: 2019/12/20
Inquire
  • Products:Veterinary products,Nutrition products,Agrochemicals,Active pharmaceutical Ingredients,Custom systhesis,Contract manufacturing
  • Tel:86-571-85829152
  • Email:market@royalpharms.com
9H-Purin-6-amine, 9-beta-D-arabinofuranosyl-
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 100 USD/Kilogram
  • Time: 2019/12/06
Inquire