Basic information
- Standard SMILES
CC(CCN1C(=O)C=CC1=O)CC(C)(C)CN1C(=O)C=CC1=O- InChIKey
XQCDLHVXAXBMGW-UHFFFAOYSA-N- Molecular formula
- C17H22N2O4
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.15795719
Names & identifiers
- Preferred name
- 1H-Pyrrole-2,5-dione, 1,1'-(2,2,4-trimethyl-1,6-hexanediyl)bis-
- IUPAC
- 1-[6-(2,5-dioxopyrrol-1-yl)-3,5,5-trimethylhexyl]pyrrole-2,5-dione
- English name
- 1,1'-(2,2,4-trimethylhexane-1,6-diyl)bis-1H-pyrrole-2,5-dione
- Molecular formula
- C17H22N2O4
- Molecular weight
- 318.37
Names & synonyms
39979-46-91H-Pyrrole-2,5-dione, 1,1'-(2,2,4-trimethyl-1,6-hexanediyl)bis-EINECS 254-730-11,1'-(2,2,4-Trimethylhexane-1,6-diyl)bis-1H-pyrrole-2,5-dioneDTXSID20885790RefChem:439186DTXCID601025152254-730-11-[6-(2,5-dioxopyrrol-1-yl)-3,5,5-trimethylhexyl]pyrrole-2,5-dione1H-Pyrrole-2,5-dione,1,1'-(2,2,4-trimethyl-1,6-hexanediyl)bis-1,1'-(2,2,4-trimethylhexane-1,6-diyl)bis(1h-pyrrole-2,5-dione)SCHEMBL258452
Show more names
2,2,4-TrimethylhexamethylenebismaleimideN,N'-(2,2,4-Trimethylhexane-1,6-diyl)dimaleimideN,N'-(2,2,4-Trimethylhexane-1,6-diyl)bis(maleimide)N,N'-(2,2,4-Trimethyl-1,6-hexanediyl)bis(maleimide)1,1'-(2,2,4-Trimethyl-1,6-hexanediyl)bis(1H-pyrrole-2,5-dione)5-dione, 1,1'-(2,2,4-trimethyl-1,6-hexanediyl)bis-1H-Pyrrole-2 1,1'-(2,2,4-trimethyl-1,6-hexanediyl)bis-1h-pyrrole-5-dione 1,1'-(2,2,4-trimethyl-1,6-hexanediyl)bis-1h-pyrrole-5-dione 1H-Pyrrole-2,5-dione,1,1'-(2,2,4-trimethyl-1,6-hexanediyl)bis-
1,6-bismaleimido-2,2,4-trimethylhexane1,6-bismaleimido(2,2,4-trimethyl)hexaneNS000574281,1'-(2,2,4-Trimethylhexane-1,6-diyl)di(1H-pyrrole-2,5-dione)
Database identifiers
- CAS
39979-46-9- PubChem CID
- 170261
- DTXSID
DTXSID20885790- EC Number
- 254-730-1
- Nikkaji
- J261.492H
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 568
Physicochemical properties
- Melting point
- 95 °C · 95°C
- Boiling point
- 476.5 · 476.5±28.0 °C(Predicted)
- Density
- 1.216 · 1.216±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- powder or crystals
- pka
- -2.2 · -2.20±0.20(Predicted)
- color
- white to yellow
- InChI
- 1S/C17H22N2O4/c1-12(8-9-18-13(20)4-5-14(18)21)10-17(2,3)11-19-15(22)6-7-16(19)23/h4-7,12H,8-11H2,1-3H3
- InChIKey
- XQCDLHVXAXBMGW-UHFFFAOYSA-N
- SMILES
- O=C1C=CC(=O)N1CCC(C)CC(C)(C)CN2C(=O)C=CC2=O
- EPA Substance Registry System
- 1 H-Pyrrole-2,5-dione, · 1H-Pyrrole-2,5-dione, 1,1'-(2,2,4-trimethyl-1,6-hexanediyl)bis- (39979-46-9)
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H317-H315
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- WGK Germany
- 3 · WGK 3
- TSCA
- TSCA listed
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (93.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (93.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 15 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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
Hazard Classes and CategoriesSkin Irrit. 2 (93.3%)；Skin Sens. 1 (93.3%)；Eye Irrit. 2 (100%)
Safety data
- wgk
- WGK 3
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H319-H317-H315
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Pyrrole-2,5-dione, 1,1'-(2,2,4-trimethyl-1,6-hexanediyl)bis-: ACTIVE
Applications
UsesMMI-2 is a bismaleimide homobifunctional crosslinking reagent useful for conjugation to sulhydryl groups.
Suppliers7 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
陕西格列弗生物科技研究有限责任公司13892423764 · [email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
常州北山化工有限公司+86-021-61559630 +86-13761092941 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海雪荣化学科技有限公司18201727566 · [email protected]
Related reactions
2 records
Linked notes
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