Basic information
- CAS
76620-00-3- Standard SMILES
CCc1ccc(N2C(=O)C=CC2=O)cc1- InChIKey
FHVHFKZQDVQILM-UHFFFAOYSA-N- Molecular formula
- C12H11NO2
- Average molar mass
- 201.22 g/mol
- Monoisotopic mass
- 201.07897859
Names & identifiers
- Preferred name
- N-(4-Ethylphenyl)maleimide
- IUPAC
- 1-(4-ethylphenyl)pyrrole-2,5-dione
- English name
- N-(4-Ethylphenyl)maleimide
- Molecular formula
- C12H11NO2
- Molecular weight
- 201.22
Names & synonyms
N-(4-Ethylphenyl)maleimide76620-00-31-(4-Ethylphenyl)-2,5-dihydro-1H-pyrrole-2,5-dioneDTXSID90335015RefChem:162139DTXCID40286104661-400-4FHVHFKZQDVQILM-UHFFFAOYSA-N1-(4-Ethylphenyl)-1H-pyrrole-2,5-dione1-(4-ethylphenyl)pyrrole-2,5-dioneMFCD00014538CHEMBL577071
Show more names
AKOS B001446AKOS MSC-0035ASISCHEM C66316N-(4-Ethylphenyl)maleinimideN-(4-ETHYLPHENYL)MALEIMIDE, 98+%1-(4-ethylphenyl)-3-pyrroline-2,5-quinone
1H-Pyrrole-2,5-dione, 1-(4-ethylphenyl)-1-(4-ethylphenyl)azoline-2,5-dione1-(4-Ethylphenyl)maleimideSCHEMBL112959ALBB-017480BDBM50300318SBB028628STK397396
Database identifiers
- CAS
76620-00-3- PubChem CID
- 522624
- DTXSID
DTXSID90335015- ChEMBL
CHEMBL577071- EC Number
- 661-400-4
- Nikkaji
- J628.391H
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 283
Physicochemical properties
- Melting point
- 65 · 65-66°C
- Boiling point
- 342.3 · 342.3±21.0 °C(Predicted)
- Density
- 1.233 · 1.233±0.06 g/cm3(Predicted)
- pka
- -0.22 · -0.22±0.20(Predicted)
- BRN
- 7022079 · 7022079
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Warning
- Hazard statements
- 301 · H301-H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 20 · 20/21/22
- Safety Statements
- 23 · 23-36/37/39
- HazardClass
- IRRITANT
- PackingGroup
- III
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 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 CategoriesAcute Tox. 4 (100%)；Eye Irrit. 2 (100%)
Safety data
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS06
- hazard_code
- Xi
- safety_code
- 23-36/37/39
- hazard_class
- IRRITANT
- packing_group
- III
- Hazard statements
- H301-H315-H319-H335
- Precautionary statements
- P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers19 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
山东利腾生物科技有限公司15020019777 18663721413 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
Related reactions
1 records
Compound notes
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