Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed 4   > 4-(1H-Indol-4-yl)benzoic acid
55-51-6 structure

4-(1H-Indol-4-yl)benzoic acid

Iupac Name:N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine
CAS No.:55-51-6
Molecular Weight:232.1495
Molecular Formula:C14H14F2N2O3 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1/C11H15Cl2N/c12-6-8-14(9-7-13)10-11-4-2-1-3-5-11/h1-5H,6-10H2
Canonical Smiles
C1=CC=C(C=C1)CN(CCCl)CCCl
Properties
Refractive Index
1.538
Flash Point
187.5°C
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 55-51-6 EC: 4-(1H-Indol-4-yl)benzoic acid ·ECHA C&L Inventory for CAS: CAS: 55-51-6 EC: 4-(1H-Indol-4-yl)benzoic acid
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:232.1495g/mol
  • Molecular Formula:C14H14F2N2O3
  • Exact Mass:231.058155
  • Monoisotopic Mass:231.058155
  • Complexity:129
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:3.2
  • Heavy Atom Count:14
  • 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
Recommended Suppliers
  • Tel:86-755-33239182
  • Fax:86-755-33233381
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:86-27-88660577
  • Fax:86-27-88991911
  • Tel:852-29738324
  • Fax:+86-23-86092822
  • Tel:+86-21-56491756 13512199871
  • Fax:0
  • Tel:+86-(10)-8189-7556, 6030-0056, +86-13522585276
  • Fax:+86-(10)-6030-0056
  • Tel:00852-21376140
  • Fax:00852-31758679
  • Tel:86-519-89660735
  • Fax:86-519-85125369
  • Tel:86-021-51601795
  • Fax:86-021-33250189
Recommended Suppliers
  • Tel:86-755-33239182
  • Fax:86-755-33233381
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:86-27-88660577
  • Fax:86-27-88991911
  • Tel:852-29738324
  • Fax:+86-23-86092822
  • Tel:+86-21-56491756 13512199871
  • Fax:0
  • Tel:+86-(10)-8189-7556, 6030-0056, +86-13522585276
  • Fax:+86-(10)-6030-0056
  • Tel:00852-21376140
  • Fax:00852-31758679
  • Tel:86-519-89660735
  • Fax:86-519-85125369
  • Tel:86-021-51601795
  • Fax:86-021-33250189
 
<