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Home> Hot Product Listed 5   > 5-chloro-2-methyl-1h-pyrrolo[2,3-c]pyridine
23747-48-0 structure

5-chloro-2-methyl-1h-pyrrolo[2,3-c]pyridine

Iupac Name:5-methyl-6,7-dihydro-5H-cyclopenta[b]pyrazine
CAS No.:23747-48-0
Molecular Weight:134.182
Molecular Formula:C22H22BRN3O (isomer)
Names and Identifiers
Synonyms

1h-pyrrolo[2,3-c]pyridine, 5-chloro-2-methyl- AK339805 AKOS027337928 KB-333703 SCHEMBL8269415 W-3496

Inchi
InChI=1S/C8H10N2/c1-6-2-3-7-8(6)10-5-4-9-7/h4-6H,2-3H2,1H3
InChkey
YZEFQPIMXZVPKP-UHFFFAOYSA-N
Canonical Smiles
CC1CCC2=NC=CN=C12
Properties
Vapour
0.291mmHg at 25°C
Refractive Index
1.5295
HS Code
29339900
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S26;S36/37/39
HazardClass
8
Reach Info
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/\u2026if 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:134.182g/mol
  • Molecular Formula:C22H22BRN3O
  • Compound Is Canonicalized:True
  • Exact Mass:134.084
  • Monoisotopic Mass:134.084
  • Complexity:124
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:25.8A^2
  • Heavy Atom Count:10
  • 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: AAADccBzAAAAAAAAAAAAAAAAAAAAAYAAAAAsAAAAAAAAAFgBgAAAHAAAAAAADQjBFgQugBIIEACg ARRnRAAAgCQxEiAIWAA4cAgAYEJAkACUAAAggADISAMQAAAOAAAAAAAAAAAAAAAAAAAAACAAAQAQ AA==
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