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Home> Hot Product Listed 1   > 1H-Pyrrolo[2,3-b]pyridine,5-bromo-3-iodo-1-[(4-methylphenyl)sulfonyl]-
54-11-5 structure

1H-Pyrrolo[2,3-b]pyridine,5-bromo-3-iodo-1-[(4-methylphenyl)sulfonyl]-

Iupac Name:3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CAS No.:54-11-5
Molecular Weight:162.236
Molecular Formula:C12H11NO (isomer)
Names and Identifiers
Synonyms

1h-pyrrolo[2,3-b]pyridine, 5-bromo-3-iodo-1-[(4-methylphenyl)sulfonyl]- 5-bromo-3-iodo-1-(4-methylbenzene-1-sulfonyl)-1h-pyrrolo[2,3-b]pyridine 5-bromo-3-iodo-1-(4-methylbenzenesulfonyl)pyrrolo[2,3-b]pyridine 5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine 5-bromo-3-iodo-1-(toluene-4-sulfonyl)-1h-pyrrolo[2,3-b]pyridine 5-Bromo-3-iodo-1-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridine 5-bromo-3-iodo-1-tosyl-1h-pyrrolo[2,3-b]pyridine AKOS028114566 DTXSID20678003 HE137116 KB-65709 RNPRNNYUHMYADJ-UHFFFAOYSA-N SCHEMBL721833 ZINC79034015

Inchi
InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
InChkey
SNICXCGAKADSCV-JTQLQIEISA-N
Canonical Smiles
CN1CCCC1C2=CN=CC=C2
Properties
Melting Point
-8℃
Boiling Point
21-25°C
Refractive Index
1.5255-1.5275
Flash Point
167.4°C
Alpha
-166 o (C=NEAT)
HS Code
29399910
Safety and Handling
Risk Statements
R25;R27;R51/53
Safety Statements
S36/37;S45;S61
HazardClass
6.1
PackingGroup
II
Transport
UN 1654
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
FULL JOINT 10_100 view >
Registered companies:
Registrant / Supplier details Latest dossier received
Contraf-Nicotex-Tobacco GmbH 2015
Nicobrand 2015
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

Acute toxicity - Dermal, Category 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

H310 Fatal in contact with skin

H411 Toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

P262 Do not get in eyes, on skin, or on clothing.

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

P273 Avoid release to the environment.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

P321 Specific treatment (see ... on this label).

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P310 Immediately call a POISON CENTER/doctor/\u2026

P361+P364 Take off immediately all contaminated clothing and wash it before reuse.

P391 Collect spillage.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:162.236g/mol
  • Molecular Formula:C12H11NO
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.2
  • Exact Mass:162.116
  • Monoisotopic Mass:162.116
  • Complexity:147
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:16.1A^2
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:1
  • 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: AAADccBzAAAAAAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAAABgAAAHAAAAAAADCjBGgQ+gJMIEACg AjBnRACCgCAxAiAI2CA4ZJgIIOLA0ZGEIAhggADIyAcQgIAOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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