5-Bromo-4-chloro-7-(phenylsulfonyl)-7H-pyrrolo[2,3-D]pyrimidine

HCID 22484535
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Basic information

CAS
252723-17-4
Standard SMILES
O=S(=O)(c1ccccc1)n1cc(Br)c2c(Cl)ncnc21
InChIKey
IXXOMMSCNWTOPX-UHFFFAOYSA-N
Molecular formula
C12H7BrClN3O2S
Average molar mass
372.63 g/mol
Monoisotopic mass
370.91308724

Names & identifiers

Preferred name
5-Bromo-4-chloro-7-(phenylsulfonyl)-7H-pyrrolo[2,3-D]pyrimidine
IUPAC
7-(benzenesulfonyl)-5-bromo-4-chloropyrrolo[2,3-d]pyrimidine
English name
7-Benzenesulfonyl-5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine
Molecular formula
C12H7BrClN3O2S
Molecular weight
372.62

Names & synonyms

252723-17-45-BROMO-4-CHLORO-7-(PHENYLSULFONYL)-7H-PYRROLO[2,3-D]PYRIMIDINEMFCD115019007-(BENZENESULFONYL)-5-BROMO-4-CHLOROPYRROLO[2,3-D]PYRIMIDINE7-Benzenesulfonyl-5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine7-(Benzenesulfonyl)-5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidineSCHEMBL2253631DTXSID30626070IXXOMMSCNWTOPX-UHFFFAOYSA-NAR3716AKOS022175332CS-W022325
Show more names
7H-Pyrrolo[2,3-d]pyrimidine, 5-bromo-4-chloro-7-(phenylsulfonyl)-
DS-10861EN300-7414145F3065767-(benzenesulfonyl)-5-bromo-4-chloro-pyrrolo[2,3-d]pyrimidine7-Benzenesulfonyl-5-bromo4-chloro-7H-pyrrolo[2,3-d]pyrimidine7-Benzenesulfonyl-5-bromo4chloro-7H-pyrrolo[2,3-d]pyrimidine5-Bromo-4-chloro-7-(phenylsulfonyl)-7H-pyrrolo[23-d]pyrimidine7-Benzenesulfonyl-5-bromo-4-chloro-7H-pyrrolo[2,3- d]pyrimidine

Database identifiers

CAS
252723-17-4
PubChem CID
22484535
DTXSID
DTXSID30626070

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
73.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
20

Physicochemical properties

Boiling point
546.4 · 546.4±60.0 °C(Predicted)
Density
1.83 · 1.83±0.1 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
pka
1.1 · 1.10±0.30(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers15 total

Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
合肥恩立医药科技有限公司0551-66399836 18955197623 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]

Related reactions

19 records
New reaction record

Compound notes

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