2-chloro-1-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)ethan-1-one
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Basic information
- CAS
784172-19-6- Standard SMILES
CCn1c(C)cc(C(=O)CCl)c1C- InChIKey
MZROZFPFLUMMOS-UHFFFAOYSA-N- Molecular formula
- C10H14ClNO
- Average molar mass
- 199.68 g/mol
- Monoisotopic mass
- 199.0763918
Names & identifiers
- Preferred name
- 2-chloro-1-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)ethan-1-one
- IUPAC
- 2-chloro-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
- English name
- 2-CHLORO-1-(1-ETHYL-2,5-DIMETHYL-1H-PYRROL-3-YL)ETHANONE
- Molecular formula
- C10H14ClNO
- Molecular weight
- 199.68
Names & synonyms
784172-19-62-chloro-1-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)ethan-1-oneRefChem:468266833-148-72-chloro-1-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)ethanoneMFCD063490702-chloro-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone2-Chloro-1-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)-ethanone2-chloro-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethan-1-oneAKOS BC-2765TIMTEC-BB SBB010985SBB010985
Show more names
Ethanone, 2-chloro-1-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)-
STK317905AKOS000303170SB63073NCGC00660436-01BS-53202DA-26709SY139381CS-0117249
Database identifiers
- CAS
784172-19-6- PubChem CID
- 2119986
- EC Number
- 833-148-7
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 22 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Boiling point
- 311.7 · 311.7±37.0 °C(Predicted)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- pka
- -3.85 · -3.85±0.70(Predicted)
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H314
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
- HazardClass
- IRRITANT
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, 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
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H314
- Precautionary statements
- P280-P305+P351+P338-P310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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