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Home> Hot Product Listed 1   > 1H-Pyrrolo[2,3-c]pyridine-3-carboxylic acid, 4,5,6,7-tetrahydro-2,6-dimethyl-
1851-09-8 structure

1H-Pyrrolo[2,3-c]pyridine-3-carboxylic acid, 4,5,6,7-tetrahydro-2,6-dimethyl-

Iupac Name:2-(4-chlorophenyl)sulfonylacetonitrile
CAS No.:1851-09-8
Molecular Weight:215.65674
Molecular Formula: (isomer)
Names and Identifiers
Synonyms

1h-pyrrolo[2,3-c]pyridine-3-carboxylic acid, 4,5,6,7-tetrahydro-2,6-dimethyl- 2,6-dimethyl-4,5,6,7-tetrahydro-1h-pyrrolo[2,3-c]pyridine-3-carboxylic acid AK466472 AKOS006330040

Inchi
InChI=1/C8H6ClNO2S/c9-7-1-3-8(4-2-7)13(11,12)6-5-10/h1-4H,6H2
Canonical Smiles
C1=CC(=CC=C1S(=O)(=O)CC#N)Cl
Properties
Density
1.024
Melting Point
168℃
Boiling Point
287.5°C at 760 mmHg
Vapour
2.64E-07mmHg at 25°C
Refractive Index
1.561
Flash Point
99.6°C
HS Code
29049090
Safety and Handling
Risk Statements
R20/21/22
Safety Statements
S37/39
HazardClass
6.1
PackingGroup
III
Transport
3276
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H312 Harmful in contact with skin

H332 Harmful if inhaled

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:215.65674g/mol
  • Molecular Formula:
  • Exact Mass:214.980777
  • Monoisotopic Mass:214.980777
  • Complexity:303
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:66.3
  • Heavy Atom Count:13
  • 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
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