Basic information
- CAS
59504-32-4- Standard SMILES
O=[N+]([O-])c1cc(Br)ccc1N1CCCC1- InChIKey
RTJSJJAEUUKHDP-UHFFFAOYSA-N- Molecular formula
- C10H11BrN2O2
- Average molar mass
- 271.11 g/mol
- Monoisotopic mass
- 270.00039
Names & identifiers
- Preferred name
- Nsc157404
- IUPAC
- 1-(4-bromo-2-nitrophenyl)pyrrolidine
- English name
- 1-(4-Bromo-2-nitrophenyl)-pyrrolidine
- Molecular formula
- C10H11BrN2O2
- Molecular weight
- 271.11
Names & synonyms
59504-32-4NSC157404DTXSID903032191-(4-BROMO-2-NITROPHENYL)-PYRROLIDINERefChem:854819DTXCID30254352654-042-51-(4-bromo-2-nitrophenyl)pyrrolidine5-bromo-2-(pyrrolidin-1-yl)nitrobenzenePyrrolidine, 1-(4-bromo-2-nitrophenyl)-SCHEMBL12582152MFCD00086371
Show more names
AKOS008958383NSC-1574041-(4-bromo-2-nitro-phenyl)pyrrolidineCS-0454008A1-16990
Database identifiers
- CAS
59504-32-4- PubChem CID
- 291850
- DTXSID
DTXSID90303219- EC Number
- 654-042-5
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Boiling point
- 374.6 · 374.6±32.0 °C(Predicted)
- Density
- 1.576 · 1.576±0.06 g/cm3(Predicted)
- pka
- 2.37 · 2.37±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers3 total
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
济南奥思特医药科技有限公司0531-59840128 19353175568 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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