Basic information
- CAS
41730-71-6- Standard SMILES
CC(=O)N1CCN(C(=O)Cl)C1=O- InChIKey
CCRQBNJTBJRTJD-UHFFFAOYSA-N- Molecular formula
- C6H7ClN2O3
- Average molar mass
- 190.58 g/mol
- Monoisotopic mass
- 190.01451976
Names & identifiers
- Preferred name
- 3-Acetyl-1-Chlorocarbonyl-2-Imidazolidone
- IUPAC
- 3-acetyl-2-oxoimidazolidine-1-carbonyl chloride
- English name
- 3-Acetyl-1-chlorocarbonyl-2-imidazolidone
- Molecular formula
- C6H7ClN2O3
- Molecular weight
- 190.58
Names & synonyms
41730-71-63-Acetyl-1-Chlorocarbonyl-2-ImidazolidoneDTXSID40459396RefChem:276165DTXCID904102153-acetyl-2-oxoimidazolidine-1-carbonyl chloride1-Chlorocarbonyl-3-acetyl-2-imidazolidinone3-acetyl-2-oxo-imidazolidine-1-carbonyl ChlorideSCHEMBL8628607CCRQBNJTBJRTJD-UHFFFAOYSA-NAKOS006292337DB-004643
Show more names
4-Cheoro-2-AMin phenol-5-Sulfon aMide1-Chlorocarbonyl-3-acetyl-2-imidazolidone3-ACETYL-1-CHLOROFORMYL-2-IMIDAZOLIDINONE1-Chloroformyl-3-acetyl-2-imidazolidinone3-Chlorocarbonyl-1-acetyl-2-imidazolidinone3-ACETYL-2-IMIDAZOLIDINONE-1-CARBONYL CHLORIDE3-ACETYL-2-OXO-1-IMIDAZOLIDINECARBONYL CHLORIDE
3-Acetyl-imidazolidin-2-on-1-carbonyl chlorideEN300-23019232
Database identifiers
- CAS
41730-71-6- PubChem CID
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 253
Physicochemical properties
- Melting point
- 102 · 102-104°C
- Boiling point
- 278 °C · 278°C
- Density
- 1.528 · 1.528
- Flash point
- 122 °C · 122°C
- pka
- -2.31 · -2.31±0.20(Predicted)
- InChI
- InChI=1S/C6H7ClN2O3/c1-4(10)8-2-3-9(5(7)11)6(8)12/h2-3H2,1H3
- InChIKey
- CCRQBNJTBJRTJD-UHFFFAOYSA-N
- SMILES
- C(Cl)(N1C(=O)N(C(C)=O)CC1)=O
- CAS DataBase Reference
- 41730 · 41730-71-6(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers29 total
宁波振岳医药科技有限公司19817745290 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
衢州明锋化工有限公司0570-3062502 13819002126;13819008176 · [email protected]
南京诚亿化工有限公司025-57286088 13327733630
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
北京环宇世纪化学科技有限公司hysj_bj.com
安徽科迪达化工有限公司0554-2106669 · [email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [email protected]
Related reactions
7 records
Compound notes
Loading…