Basic information
- CAS
1631-25-0- Standard SMILES
O=C1C=CC(=O)N1C1CCCCC1- InChIKey
BQTPKSBXMONSJI-UHFFFAOYSA-N- Molecular formula
- C10H13NO2
- Average molar mass
- 179.22 g/mol
- Monoisotopic mass
- 179.09462866
Names & identifiers
- Preferred name
- 1H-Pyrrole-2,5-dione, 1-cyclohexyl-
- IUPAC
- 1-cyclohexylpyrrole-2,5-dione
- English name
- N-Cyclohexylmaleimide
- Molecular formula
- C10H13NO2
- Molecular weight
- 179.22
Names & synonyms
Show more names
Database identifiers
- CAS
1631-25-0- PubChem CID
- 74203
- DTXSID
DTXSID4061834- ChEMBL
CHEMBL4547552- UNII
- 3BD6JKD4Q7
- EC Number
- 216-630-6
- Nikkaji
- J93.736C
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Melting point
- 89 · 89-91 °C (lit.)
- Boiling point
- 132 °C · 132 °C / 17mmHg
- Density
- 1.226 · 1.226±0.06 g/cm3(Predicted)
- vapor pressure
- 80 Pa · 80Pa at 25℃
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Insoluble in water
- form
- powder to lump
- pka
- -2.26 · -2.26±0.20(Predicted)
- color
- White to Almost white
- Water Solubility
- 260 mg/L · 260mg/L at 25℃
- InChI
- InChI=1S/C10H13NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h6-8H,1-5H2
- InChIKey
- BQTPKSBXMONSJI-UHFFFAOYSA-N
- SMILES
- N1(C2CCCCC2)C(=O)C=CC1=O
- LogP
- 2.57 at · 2.57 at 23℃
- CAS DataBase Reference
- 1631 · 1631-25-0(CAS DataBase Reference)
- FDA UNII
- 3 BD6JKD4Q7 · 3BD6JKD4Q7
- EPA Substance Registry System
- 1 H-Pyrrole-2,5-dione, · 1H-Pyrrole-2,5-dione, 1-cyclohexyl- (1631-25-0)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06,GHS09
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H317-H319-H335-H410
- Precautionary statements
- 261 · P261-P273-P280-P301+P310-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- RIDADR
- 2811 · 2811
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1
- PackingGroup
- II
- HS Code
- 29251900 · 29251900
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 OralAquatic · Acute Tox. 3 OralAquatic Acute 1Aquatic Chronic 3Eye Irrit. 2Skin Irrit. 2Skin Sens. 1ASTOT SE 3
- REACH Registrations
- Active
- Limited Quantities
- 5 kg · 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (30.2%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 63 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 2811
- hs_code
- 29251900
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS09
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-37/39
- hazard_class
- 6.1
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- II
- target organs
- Respiratory system
- Hazard statements
- H301-H315-H317-H319-H335-H410
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 3 OralAquatic Acute 1Aquatic Chronic 3Eye Irrit. 2Skin Irrit. 2Skin Sens. 1ASTOT SE 3
- Precautionary statements
- P261-P273-P280-P301+P310-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Applications
UsesN-Cyclohexylmaleimide (CHMI, NCMI) may be used for the preparation of hyperbranched copolymers of p-(chloromethyl)styrene (CMS) and NCMI, via atom transfer radical copolymerization reaction.
General DescriptionN-Cyclohexylmaleimide (CHMI, NCMI) is a cyclic imide. Diels-Alder reactions of 9-hydroxymethylanthracene with CHMI catalyzed by hydrophobic nanospace confined within the self-assembled Pd6 open cage bearing triimidazole walls have been reported. It undergoes Diels-Alder reactions with various aromatic hydrocarbons promoted by self-assembled coordination cage. This cage acts as nanometer-sized molecular flask and hence promotes this reaction. CHMI is reported to undergo radical polymerization readily under various polymerization conditions to afford poly(CHMI), having excellent thermal stability.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
Related reactions
Compound notes
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