5-Iodo-6-nitro-1,3-benzodioxole
Basic information
- CAS
7106-74-3- Standard SMILES
O=[N+]([O-])c1cc2c(cc1I)OCO2- InChIKey
IHRDPDCTXSIYFC-UHFFFAOYSA-N- Molecular formula
- C7H4INO4
- Average molar mass
- 293.02 g/mol
- Monoisotopic mass
- 292.91851
Names & identifiers
- Preferred name
- 5-Iodo-6-nitro-1,3-benzodioxole
- IUPAC
- 5-iodo-6-nitro-1,3-benzodioxole
- English name
- 5-Iodo-6-nitro-1,3-benzodioxole
- Molecular formula
- C7H4INO4
- Molecular weight
- 293.02
Names & synonyms
5-iodo-6-nitro-1,3-benzodioxole7106-74-35-iodo-6-nitro-2H-1,3-benzodioxole5-Iodo-6-nitro-1,3-dioxaindane5-iodo-6-nitrobenzo[d][1,3]dioxoleOprea1_620357SCHEMBL4126863IHRDPDCTXSIYFC-UHFFFAOYSA-NHAA10674STK762294AKOS0005360075-iodo-6-nitro-2H-benzo[d]1,3-dioxolene
Show more names
1,3-Benzodioxole, 5-iodo-6-nitro-
DB-100374ST4053313CS-0242125EU-0085684ST50300155EN300-24502G26284AF-399/32358048
Database identifiers
- CAS
7106-74-3- PubChem CID
- 699502
- EC Number
- 127-282-9
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- Melting point
- 109 · 109-110 °C
- Boiling point
- 345.4 · 345.4±42.0 °C(Predicted)
- Density
- 2.178 · 2.178±0.06 g/cm3(Predicted)
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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