N-(4-Bromophenyl)maleimide
Basic information
- CAS
13380-67-1- Standard SMILES
O=C1C=CC(=O)N1c1ccc(Br)cc1- InChIKey
FECSFBYOMHWJQG-UHFFFAOYSA-N- Molecular formula
- C10H6BrNO2
- Average molar mass
- 252.06 g/mol
- Monoisotopic mass
- 250.95819
Overview
structure given in first source
Names & identifiers
- Preferred name
- N-(4-Bromophenyl)maleimide
- IUPAC
- 1-(4-bromophenyl)pyrrole-2,5-dione
- English name
- N-(4-Bromophenyl)maleimide
- Molecular formula
- C10H6BrNO2
- Molecular weight
- 252.06
Names & synonyms
N-(4-Bromophenyl)maleimide13380-67-1N-BPM1-(p-Bromophenyl)maleimideDTXSID00158373RefChem:162110DTXCID6080864622-871-11-(4-Bromophenyl)-1H-pyrrole-2,5-dione1-(4-bromophenyl)pyrrole-2,5-dioneMFCD000306641H-Pyrrole-2,5-dione, 1-(4-bromophenyl)-
Show more names
AKOS MSC-0026ASISCHEM S97816N-(p-Bromophenyl)maleimideN-(4-Bromophenyl)maleinimide4-(2-chloroprop-2-enyl)phenolN-(4-Bromophenyl)maleimide 98%N-(4-Bromophenyl)maleimide,98%
1-(4-bromophenyl)-2,5-dioxo-pyrrole1-(4-bromophenyl)-2,5-dihydro-1H-pyrrole-2,5-dioneCHEMBL5669981-(4-bromophenyl)azoline-2,5-dioneN-p-bromophenylmaleimideBionet2_0004611-(4-Bromophenyl)maleimideSCHEMBL1190763
Database identifiers
- CAS
13380-67-1- PubChem CID
- 123301
- DTXSID
DTXSID00158373- ChEMBL
CHEMBL566998- EC Number
- 622-871-1
- Nikkaji
- J774.291F
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 274
Physicochemical properties
- Melting point
- 135 · 135-137 °C
- Boiling point
- 368.2 · 368.2±25.0 °C(Predicted)
- Density
- 1.721 · 1.721±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- -1.67 · -1.67±0.20(Predicted)
- form
- powder
- color
- Faint yellow
- BRN
- 513122 · 513122
- InChI
- 1S/C10H6BrNO2/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h1-6H
- InChIKey
- FECSFBYOMHWJQG-UHFFFAOYSA-N
- CAS DataBase Reference
- 13380 · 13380-67-1(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
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
H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.7%)
Safety data
- wgk
- 3
- hs_code
- 38220090
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- safety_code
- 37/39-26
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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