Basic information
- CAS
89-07-6- Standard SMILES
CC(C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
BAWGGSYXBBWRAO-UHFFFAOYSA-N- Molecular formula
- C9H10N2O4
- Average molar mass
- 210.19 g/mol
- Monoisotopic mass
- 210.0640568
Names & identifiers
- Preferred name
- Benzene, 1-(1-methylethyl)-2,4-dinitro-
- IUPAC
- 2,4-dinitro-1-propan-2-ylbenzene
- English name
- 2,4-dinitrocumene
- Molecular formula
- C9H10N2O4
- Molecular weight
- 210.19
Names & synonyms
89-07-6Benzene, 1-(1-methylethyl)-2,4-dinitro-2,4-DinitrocumeneEINECS 201-880-0DTXSID5058981RefChem:562355DTXCID9048649201-880-02,4-dinitro-1-propan-2-ylbenzene2,4-Dinitro-1-(propan-2-yl)benzeneSCHEMBL9735630BAWGGSYXBBWRAO-UHFFFAOYSA-N
Show more names
1-Isopropyl-2,4-dinitrobenzene
NS00039304EN300-6731456
Database identifiers
- CAS
89-07-6- PubChem CID
- 66629
- DTXSID
DTXSID5058981- EC Number
- 201-880-0
- Nikkaji
- J182.056G
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- EPA Substance Registry System
- 1 · Benzene, 1-(1-methylethyl)-2,4-dinitro- (89-07-6)
- Symbol(GHS)
- 8 · GHS08,GHS06
- Signal word
- Danger
- Hazard statements
- 361 · H361-H412-H331-H341-H373-H351-H301-H311
- Precautionary statements
- 201 · P201-P202-P281-P308+P313-P405-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P201-P202-P281-P308+P313-P405-P501-P273-P501-P264-P270-P301+P310-P321-P330-P405-P501-P260-P314-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501-P201-P202-P281-P308+P313-P405-P501
- TSCA
- TSCA listed
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P203, P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P318, P319, P321, P330, P361+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. 3 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS06
- Hazard statements
- H361-H412-H331-H341-H373-H351-H301-H311
- Precautionary statements
- P201-P202-P281-P308+P313-P405-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P201-P202-P281-P308+P313-P405-P501-P273-P501-P264-P270-P301+P310-P321-P330-P405-P501-P260-P314-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501-P201-P202-P281-P308+P313-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1-(1-methylethyl)-2,4-dinitro-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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