Basic information
- CAS
7745-92-8- Standard SMILES
Cc1ccc([N+](=O)[O-])cc1I- InChIKey
BUQSRXQJUZTIEW-UHFFFAOYSA-N- Molecular formula
- C7H6INO2
- Average molar mass
- 263.03 g/mol
- Monoisotopic mass
- 262.94432643
Names & identifiers
- Preferred name
- 2-Iodo-4-nitrotoluene
- IUPAC
- 2-iodo-1-methyl-4-nitrobenzene
- English name
- 2-Iodo-4-nitrotoluene
- Molecular formula
- C7H6INO2
- Molecular weight
- 263.03
Names & synonyms
2-Iodo-4-nitrotolueneEINECS 231-808-3DTXSID60228162NSC 310164RefChem:473693DTXCID80150653231-808-37745-92-82-Iodo-1-methyl-4-nitrobenzeneBenzene, 2-iodo-1-methyl-4-nitro-MFCD000243291-Iodo-2-methyl-5-nitrobenzene
Show more names
AKOS BBS-00002965TIMTEC-BB SBB0058212-Iodo-4-nitrotoluene>2-Iodo-4-nitrotoluene,98%2-methyl-5-nitro-iodobenzene1-Methyl-2-iodo-4-nitrobenzene2-Methyl-5-nitro-1-iodobenzene1-Nitro-3-iodo-4-methylbenzene
NSC310164SCHEMBL2314016T99FZN9F22CL8821AKOS000271615CS-W012471NSC-310164DS-12915
Database identifiers
- CAS
7745-92-8- PubChem CID
- 82188
- DTXSID
DTXSID60228162- UNII
- T99FZN9F22
- EC Number
- 231-808-3
- Nikkaji
- J326.542K
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Melting point
- 60 · 60-62°C
- Boiling point
- 165 °C · 165 °C / 15mmHg
- Density
- 1.883 · 1.883±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Soluble in toluene.
- form
- powder to crystal
- color
- Light yellow to Brown
- Sensitive
- Light Sensitive
- Stability
- Stable, but light sensitive. Combustible. Incompatible with strong oxidizing agents, strong acids.
- CAS DataBase Reference
- 7745 · 7745-92-8(CAS DataBase Reference)
- FDA UNII
- 99 FZN9F22 · T99FZN9F22
- NIST Chemistry Reference
- 2 · 2-Iodo-4-nitrotoluene(7745-92-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39-37
- HazardClass
- IRRITANT
- HS Code
- 29049090 · 29049090
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (89.1%): 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)
Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (89.1%)
Safety data
- hs_code
- 29049090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39-37
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses2-Iodo-4-nitrotoluene is used as a pharmaceutical intermediate, chemical synthesis intermediate.
Upstream & downstream products
Downstream products
Suppliers100 total
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Related reactions
1 records
Compound notes
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