7-Chloro-3H-1,4-benzodiazepin-2,5(1H,4H)-dione
Basic information
- CAS
5177-39-9- Standard SMILES
O=C1CNC(=O)c2cc(Cl)ccc2N1- InChIKey
DUAONSMGNHXBMX-UHFFFAOYSA-N- Molecular formula
- C9H7ClN2O2
- Average molar mass
- 210.62 g/mol
- Monoisotopic mass
- 210.0196052
Names & identifiers
- Preferred name
- 7-Chloro-3H-1,4-benzodiazepin-2,5(1H,4H)-dione
- IUPAC
- 7-chloro-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
- English name
- 7-CHLORO-3,4-DIHYDRO-1H-BENZO[E][1,4]DIAZEPINE-2,5-DIONE
- Molecular formula
- C9H7ClN2O2
- Molecular weight
- 210.62
Names & synonyms
7-CHLORO-3H-1,4-BENZODIAZEPIN-2,5(1H,4H)-DIONERefChem:546157665-723-15177-39-97-chloro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione7-chloro-3,4-dihydro-1h-benzo[e][1,4]diazepine-2,5-dione7-chloro-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dioneMFCD00024146MLS003115990NSC319999SCHEMBL2605640CHEMBL2143856
Show more names
1H-1,4-Benzodiazepine-2,5-dione, 7-chloro-3,4-dihydro-
DTXSID30317734DUAONSMGNHXBMX-UHFFFAOYSA-NAKOS015920492NSC-319999AS-37388SMR001831548DB-071405CS-0085142
Database identifiers
- CAS
5177-39-9- PubChem CID
- 330746
- DTXSID
DTXSID30317734- ChEMBL
CHEMBL2143856- EC Number
- 665-723-1
- Nikkaji
- J1.400.339H
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 270
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
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, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317-H319-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Related reactions
2 records
Compound notes
Loading…