3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
Basic information
- CAS
42477-08-7- Standard SMILES
O=C(CCCl)Nc1ccc2c(c1)OCCO2- InChIKey
YHRDEJFGHGFMHU-UHFFFAOYSA-N- Molecular formula
- C11H12ClNO3
- Average molar mass
- 241.67 g/mol
- Monoisotopic mass
- 241.0505709
Names & identifiers
- Preferred name
- 3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
- IUPAC
- 3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
- English name
- 3-CHLORO-N-2,3-DIHYDRO-1,4-BENZODIOXIN-6-YLPROPANAMIDE
- Molecular formula
- C11H12ClNO3
- Molecular weight
- 241.67
Names & synonyms
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamideRefChem:500366867-288-542477-08-73-chloro-N-2,3-dihydro-1,4-benzodioxin-6-ylpropanamide3-chloro-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)propanamideMFCD02655040N-(2H,3H-benzo[3,4-e]1,4-dioxan-6-yl)-3-chloropropanamideDTXSID50408173SBB038669STK449082AKOS000198459
Show more names
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-7-yl)propanamide3-chloro-N-(2,3-dihydro-1,4-benzodioxin-7-yl)propionamide
NCGC00660625-01ST50051424F349769Z56884821F1143-4660
Database identifiers
- CAS
42477-08-7- PubChem CID
- 5084887
- DTXSID
DTXSID50408173- EC Number
- 867-288-5
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- Boiling point
- 430.4 · 430.4±45.0 °C(Predicted)
- Density
- 1.347 · 1.347±0.06 g/cm3(Predicted)
- pka
- 13.17 · 13.17±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H302-H319-H312-H332-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H302-H319-H312-H332-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Suppliers
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Related reactions
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Compound notes
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