Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed S   > STK351856
701-45-1 structure

STK351856

Iupac Name:2-bromo-1-fluoro-4-nitrobenzene
CAS No.:701-45-1
Molecular Weight:219.997
Molecular Formula:C9H7FN2O2 (isomer)
Names and Identifiers
Synonyms

AK522262 AKOS005167554 ethyl [3-cyclopropyl-6-methyl-4-(trifluoromethyl)-1h-pyrazolo[3,4-b]pyridin-1-yl]acetate ethyl 2-(3-cyclopropyl-6-methyl-4-(trifluoromethyl)-1h-pyrazolo[3,4-b]pyridin-1-yl)acetate MOLPORT-004-852-902 SBB024914 ZINC12396259

Inchi
InChI=1S/C6H3BrFNO2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H
InChkey
FAWMTDSAMOCUAR-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=C(C=C1[N+](=O)[O-])Br)F
Properties
Melting Point
55°C
Refractive Index
1.484
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

Response

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

P330 Rinse mouth.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:219.997g/mol
  • Molecular Formula:C9H7FN2O2
  • Compound Is Canonicalized:True
  • Exact Mass:218.933
  • Monoisotopic Mass:218.933
  • Complexity:161
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:45.8A^2
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcQBiMQAAEAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHQBEAAABqAiBEAgwwIAQQACB ACRCQwCCAAAgAgQoiAAAZKoIICKAkZGAIABggAAIyhcQAAAAAAAAAAEAAAAAAAAAAgAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-311-66561638
  • Fax:86-311-66561638
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-87758773
  • Fax:86-571-86821328
  • Tel:86-27-111111
  • Fax:86-27-111111
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-755-33239182
  • Fax:86-755-33233381
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-21-61723543
  • Fax:86-21-33250189
Recommended Suppliers
  • Tel:86-311-66561638
  • Fax:86-311-66561638
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-87758773
  • Fax:86-571-86821328
  • Tel:86-27-111111
  • Fax:86-27-111111
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-755-33239182
  • Fax:86-755-33233381
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-21-61723543
  • Fax:86-21-33250189
 
<