(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanamine hydrochloride
Basic information
- CAS
1052548-86-3- Standard SMILES
Cl.NCc1cc(Cl)c2c(c1)OCCCO2- InChIKey
LFCGWCGQIRQRTH-UHFFFAOYSA-N- Molecular formula
- C10H13Cl2NO2
- Average molar mass
- 250.12 g/mol
- Monoisotopic mass
- 249.032334
Names & identifiers
- Preferred name
- (9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanamine hydrochloride
- IUPAC
- (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanamine;hydrochloride
- English name
- (9-Chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanamine Hydrochloride
- Molecular formula
- C10H13Cl2NO2
- Molecular weight
- 250.12
Names & synonyms
1052548-86-3(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanamine hydrochlorideRefChem:405538101-631-5(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanamine;hydrochloride(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methylamine hydrochlorideCSB54886AKOS026741030EN300-13931SR-01000072419SR-01000072419-1Z94601359
Show more names
(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanaminehydrochloride
Database identifiers
- CAS
1052548-86-3- PubChem CID
- 16249166
- EC Number
- 101-631-5
Properties
Computed structural properties
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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, 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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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