Basic information
- CAS
691381-10-9- Standard SMILES
COc1ccc(Br)cc1S(=O)(=O)N1CCCC1- InChIKey
FPKQJHZVAVRUQD-UHFFFAOYSA-N- Molecular formula
- C11H14BrNO3S
- Average molar mass
- 320.2 g/mol
- Monoisotopic mass
- 318.98778
Names & identifiers
- Preferred name
- 1-(5-Bromo-2-methoxyphenylsulfonyl)pyrrolidine
- IUPAC
- 1-(5-bromo-2-methoxyphenyl)sulfonylpyrrolidine
- English name
- 1-(5-Bromo-2-methoxybenzenesulphonyl)pyrrolidine
- Molecular formula
- C11H14BrNO3S
- Molecular weight
- 320.2
Names & synonyms
691381-10-91-(5-BROMO-2-METHOXYPHENYLSULFONYL)PYRROLIDINE1-((5-bromo-2-methoxyphenyl)sulfonyl)pyrrolidine1-(5-bromo-2-methoxyphenyl)sulfonylpyrrolidine4-Bromo-2-(pyrrolidin-1-ylsulphonyl)anisoleMFCD040919114-bromo-2-(1-pyrrolidinylsulfonyl)phenyl methyl ether1-[(5-Bromo-2-methoxyphenyl)sulfonyl]pyrrolidineMLS000547927CHEMBL1572936DTXSID10351439HMS2340M23
Show more names
4-Bromo-2-(pyrrolidin-1-ylsulfonyl)anisole4-Bromo-2-(pyrrolidin-1-ylsulphonyl)anisole95%4-Bromo-2-(pyrrolidin-1-ylsulphonyl)anisole 95%1-(5-Bromo-2-methoxybenzenesulphonyl)pyrrolidinePyrrolidine,1-[(5-bromo-2-methoxyphenyl)sulfonyl]-N-Pyrrolidinyl 5-bromo-2-methoxybenzenesulfonamide1-(5-BROMO-2-METHOXYBENZENESULPHONYL)PYRROLIDINE USP/EP/BP
AKOS001272978BS-22637SMR000113708CS-0211429ST50171989F730534-bromo-1-methoxy-2-(pyrrolidinylsulfonyl)benzeneAP-263/42173424
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 348
Physicochemical properties
- Melting point
- 116 · 116-120
- Boiling point
- 437 · 437.0±55.0 °C(Predicted)
- Density
- 1.545 · 1.545±0.06 g/cm3(Predicted)
- storage temp.
- Keep Cold
- pka
- -5.32 · -5.32±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- Hazard Codes
- Xi
- Hazard Note
- Irritant/Keep Cold
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant/Keep Cold
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Suppliers15 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
无锡凯德瑞医药科技有限公司19906241957 · [email protected]
上海尊理加生命科技有限公司021-34045219 13062664914 · [email protected]
武汉赢元贝商贸有限公司86-13349903920 13349903920 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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