4-Chloro-7-[(4-methylphenyl)sulfonyl]-7H-pyrrolo[2,3-d]pyrimidine

Basic Information

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CAS Number

479633-63-1

Molecular Formula

C13H10ClN3O2S

Molecular Weight

307.76 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

No data available

Melting Point

145.0 to 149.0 deg-C

Boiling Point

505.3°C at 760 mmHg

Flash Point

259.4°C

Refractive Index

1.696

SMILES

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CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2N=CN=C3Cl

InChI

InChI=1S/C13H10ClN3O2S/c1-9-2-4-10(5-3-9)20(18,19)17-7-6-11-12(14)15-8-16-13(11)17/h2-8H,1H3

InChIKey

BTOJSYRZQZOMOK-UHFFFAOYSA-N

LogP

2.6301200000000007

Topological Polar Surface Area

64.85 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

445

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

A827409
4-Chloro-7-(4-methylphenylsulfonyl)-7H-pyrrolo[2,3-d]pyrimidine
4-chloro-7-(4-methylbenzenesulfonyl)-7H-pyrrolo[2,3-d]pyrimidine
4-Chloro-7-(4-methylbenzene-1-sulfonyl)-7H-pyrrolo[2,3-d]pyrimidine
7H-Pyrrolo[2,3-d]pyrimidine,4-chloro-7-[(4-methylphenyl)sulfonyl]-
SCHEMBL1356181
AC-27053
479633-63-1
4-Chloro-7-tosyl-7H-pyrrolo[2,3-d]pyrimidine
DTXSID00657957
BTOJSYRZQZOMOK-UHFFFAOYSA-N
CS-B0636
C3036
4-CHLORO-7-[(4-METHYLPHENYL)SULFONYL]-
7H-PYRROLO[2,3-D]PYRIMIDINE, 4-CHLORO-7-[(4-METHYLPHENYL)SULFONYL]-
AB3582
4-chloro-7-(4-methyl-benzenesulfonyl)-7H-pyrrolo[2,3-d]pyrimidine
4-Chloro-7-(toluene-4-sulfonyl)-7H-pyrrolo[2,3-d]
4-Chloro-7-(toluene-4-sulfonyl)-7H-pyrrolo[2,3-d]pyrimidine
4-Chloro-7-(p-toluenesulfonyl)-7H-pyrrolo[2,3-d]pyrimidine
FT-0647139
9GB58L7D4M
SY024673
Chloro-7-tosyl-7H-pyrrolo[2,3-d]pyrimidine
4-CHLORO-7-[(4-METHYLBENZENE)SULFONYL]-7H-PYRROLO[2,3-D]PYRIMIDINE
W-202839
4-chloro-7-(4-methylbenzenesulphonyl)-7H-pyrrolo[2,3-d]pyrimidine
4-CHLORO-7-P-TOLUENESULPHONYL-7H-PYRROLO[2,3-D]PYRIMIDINE
AKOS015850477
CCG-277881
Tofacitinib Impurity 09

MDL Number

MFCD09907939

Customs Code

2933990090

FAQ

What is 4-Chloro-7-[(4-methylphenyl)sulfonyl]-7H-pyrrolo[2,3-d]pyrimidine (CAS: 479633-63-1)?

4-Chloro-7-[(4-methylphenyl)sulfonyl]-7H-pyrrolo[2,3-d]pyrimidine (CAS: 479633-63-1) is a synthetic chemical compound belonging to the pyrimidine class. Its molecular formula is C14H11ClN2S, and it features a chloro group at position 4 and a sulfonyl-substituted phenyl ring at position 7. This compound is known for its stability under standard conditions and is commonly used as an intermediate in organic synthesis. Its structure suggests potential applications in pharmaceutical research due to the presence of functional groups that can be modified for drug development.

What are the main uses of 4-Chloro-7-[(4-methylphenyl)sulfonyl]-7H-pyrrolo[2,3-d]pyrimidine (CAS: 479633-63-1)?

The primary applications of 4-Chloro-7-[(4-methylphenyl)sulfonyl]-7H-pyrrolo[2,3-d]pyrimidine (CAS: 479633-63-1) include pharmaceutical research, where it serves as a building block for developing drugs targeting specific biological pathways. It is also utilized in agrochemical synthesis and as a precursor for compounds with potential therapeutic or industrial value. Due to its chemical versatility, it may find use in organic chemistry studies and specialty chemical manufacturing.

Is 4-Chloro-7-[(4-methylphenyl)sulfonyl]-7H-pyrrolo[2,3-d]pyrimidine (CAS: 479633-63-1) safe?

4-Chloro-7-[(4-methylphenyl)sulfonyl]-7H-pyrrolo[2,3-d]pyrimidine (CAS: 479633-63-1) is generally considered safe when handled according to standard chemical safety protocols. However, as a synthetic compound, it may pose risks if ingested, inhaled, or exposed to skin. Protective measures such as gloves, goggles, and a well-ventilated workspace are recommended. Always follow safety data sheets (SDS) and regulatory guidelines for proper use and disposal to minimize potential hazards.

How should 4-Chloro-7-[(4-methylphenyl)sulfonyl]-7H-pyrrolo[2,3-d]pyrimidine (CAS: 479633-63-1) be stored?

4-Chloro-7-[(4-methylphenyl)sulfonyl]-7H-pyrrolo[2,3-d]pyrimidine (CAS: 479633-63-1) should be stored in a cool, dry, and dark environment to maintain stability. It is best kept in a sealed container made of inert material, such as glass or HDPE, to prevent moisture and contamination. Avoid exposure to heat, light, and incompatible substances to ensure long-term preservation and safety compliance.