Basic information
- CAS
3278-31-7- Standard SMILES
O=C1C=CC(=O)N1c1ccc(N2C(=O)C=CC2=O)cc1- InChIKey
AQGZJQNZNONGKY-UHFFFAOYSA-N- Molecular formula
- C14H8N2O4
- Average molar mass
- 268.22 g/mol
- Monoisotopic mass
- 268.04840674
Names & identifiers
- Preferred name
- 1,4-Phenylenebismaleimide
- IUPAC
- 1-[4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione
- English name
- N,N'-1,4-PHENYLENEDIMALEIMIDE
- Molecular formula
- C14H8N2O4
- Molecular weight
- 268.22
Names & synonyms
Show more names
Database identifiers
- CAS
3278-31-7- PubChem CID
- 76765
- DTXSID
DTXSID70186446- ChEMBL
CHEMBL576594- UNII
- BEC7P1E6J1
- EC Number
- 221-910-6
- Nikkaji
- J208.873H
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 470
Physicochemical properties
- Melting point
- 300 °C · >300 °C(lit.)
- Boiling point
- 411.39 °C · 411.39°C (rough estimate)
- Density
- 1.314 · 1.3140 (rough estimate)
- refractive index
- 1.591 · 1.5910 (estimate)
- storage temp.
- Poison room
- solubility
- DMSO, Methanol (Very Slightly)
- form
- Solid
- pka
- -1.81 · -1.81±0.20(Predicted)
- color
- Yellow
- BRN
- 249631 · 249631
- InChI
- 1S/C14H8N2O4/c17-11-5-6-12(18)15(11)9-1-2-10(4-3-9)16-13(19)7-8-14(16)20/h1-8H
- InChIKey
- AQGZJQNZNONGKY-UHFFFAOYSA-N
- SMILES
- O=C1C=CC(=O)N1c2ccc(cc2)N3C(=O)C=CC3=O
- CAS DataBase Reference
- 3278 · 3278-31-7(CAS DataBase Reference)
- FDA UNII
- 7 P1E6J1 · BEC7P1E6J1
- UNSPSC Code
- 12162002 · 12162002
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312+P330-P501
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn,Xi
- Risk Statements
- 22 · 22
- Safety Statements
- 45 · 45-38-36/37/39-28A
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- HS Code
- 29251995 · 29251995
- Storage Class
- 13 · 13 - Non Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
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)
Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29251995
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- hazard_note
- Irritant
- safety_code
- 45-38-36/37/39-28A
- Storage Class
- 13 - Non Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312+P330-P501
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Reagents with two reactive groups, usually at opposite ends of the molecule, that are capable of reacting with and thereby forming bridges between side chains of amino acids in proteins; the locations of naturally reactive areas within proteins can thereby be identified; may also be used for other macromolecules, like glycoproteins, nucleic acids, or other.
Applications
UsesA short, sulfhydryl reactive hmombifunctional crosslinking reagent for protein crosslinking.
Suppliers67 total
Related reactions
Compound notes
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