Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)n2cc(Br)c3c(Cl)ncnc32)cc1- InChIKey
HUYFCWFTAOFDQD-UHFFFAOYSA-N- Molecular formula
- C13H9BrClN3O2S
- Average molar mass
- 386.65 g/mol
Names & identifiers
- Preferred name
- 5-Bromo-4-Chloro-7-Tosyl-7H-Pyrrolo[2,3-D]Pyrimidine
- IUPAC
- 5-bromo-4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine
- English name
- 5-broMo-4-chloro-7-tosyl-7H-pyrrolo[2,3-d]pyriMidine
- Molecular formula
- C13H9BrClN3O2S
- Molecular weight
- 386.65
Names & synonyms
1143534-78-45-bromo-4-chloro-7-tosyl-7H-pyrrolo[2,3-d]pyrimidine5-Bromo-4-Chloro-7-Tosyl-7H-Pyrrolo(2,3-D)PyrimidineRefChem:533673108-803-95-bromo-4-chloro-7-(4-methylbenzenesulfonyl)-7H-pyrrolo[2,3-d]pyrimidine5-bromo-4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine5-Bromo-4-chloro-7-[(4-methylphenyl)sulfonyl]-7H-pyrrolo[2,3-d]pyrimidineC13H9BrClN3O2SSCHEMBL391944HUYFCWFTAOFDQD-UHFFFAOYSA-NMFCD20441317
Show more names
JR-13965, 5-Bromo-4-chloro-7-tosyl-7H-pyrrolo[2,3-d]pyrimidine, 97%7H-Pyrrolo[2,3-d]pyrimidine, 5-bromo-4-chloro-7-[(4-methylphenyl)sulfonyl]-
AKOS025393555SS-4672DB-168703CS-0441199G865785-bromo-4-chloro-7-(p-tolylsulfonyl)pyrrolo[2,3-d]pyrimidine
Database identifiers
- CAS
1143534-78-4- PubChem CID
- 57750282
- EC Number
- 108-803-9
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 478
Physicochemical properties
- Boiling point
- 548.5 · 548.5±60.0 °C(Predicted)
- Density
- 1.77 · 1.77±0.1 g/cm3(Predicted)
- pka
- 1.02 · 1.02±0.30(Predicted)
- form
- solid
- UNSPSC Code
- 12352200 · 12352200
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- HS Code
- 2933599590 · 2933599590
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933599590
- risk_code
- 22
- hazard_code
- Xn
Chemistry & industry
Suppliers2 total
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
合肥恩立医药科技有限公司0551-66399836 18955197623 · [email protected]
Related reactions
6 records
Linked notes
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