Basic information
- CAS
112596-36-8- Standard SMILES
BrCc1cccc(-n2cccc2)c1- InChIKey
YMWNCAQFJODGRZ-UHFFFAOYSA-N- Molecular formula
- C11H10BrN
- Average molar mass
- 236.11 g/mol
- Monoisotopic mass
- 234.99966142
Names & identifiers
- Preferred name
- 1-[3-(Bromomethyl)phenyl]-1H-pyrrole
- IUPAC
- 1-[3-(bromomethyl)phenyl]pyrrole
- English name
- 1-[3-(Bromomethyl)phenyl]-1H-pyrrole
- Molecular formula
- C11H10BrN
- Molecular weight
- 236.11
Names & synonyms
112596-36-81-[3-(Bromomethyl)phenyl]-1H-pyrrole1-[3-(bromomethyl)phenyl]pyrrole1-3-Bromomethylphenyl-1H-pyrrole3-Pyrrol-1-ylbenzyl bromide1-(3-(bromomethyl)phenyl)-1h-pyrroleMFCD030861411-(3-bromomethyl-phenyl)-1H-pyrrole1H-Pyrrole,1-[3-(bromomethyl)phenyl]-SCHEMBL201853[3-(bromomethyl)phenyl]pyrroleDTXSID30380160
Show more names
BUTTPARK 96\50-021H-Pyrrole, 1-[3-(bromomethyl)phenyl]-
YMWNCAQFJODGRZ-UHFFFAOYSA-NSBB098521AKOS015912075SB62320DB-008033F545787
Database identifiers
- CAS
112596-36-8- PubChem CID
- 2776530
- DTXSID
DTXSID30380160
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 4.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 154
Physicochemical properties
- Melting point
- 54 °C · 54 °C
- Boiling point
- 325.6 · 325.6±25.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- -5.49 · -5.49±0.70(Predicted)
- Hazard Codes
- C
- Hazard Note
- Corrosive
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety data
- hs_code
- 2933998090
- hazard_code
- C
- hazard_note
- Corrosive
Chemistry & industry
Applications
Uses1-[3-(Bromomethyl)phenyl]-1H-pyrrole is an intermediate in the preparation of Iminoribitol derivatives as inhibitors of a purine specific nucleoside hydrolase
Suppliers19 total
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
杭州莱晟生物科技有限公司13456210265 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
成都艾娜华化学制剂有限公司028-86612776; 13699069380 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
上海诚合医药科技有限公司021-021-54382182 18601603956 · [email protected]
河南利恩化工产品有限公司03716091-9097 13383857418 · [email protected]
济南睿思医药技术有限公司0531-0531-69900633 19963472814 · [email protected]
Related reactions
10 records
Compound notes
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