Basic information
- CAS
41252-97-5- Standard SMILES
Cc1ccc(I)cc1[N+](=O)[O-]- InChIKey
QLMRDNPXYNJQMQ-UHFFFAOYSA-N- Molecular formula
- C7H6INO2
- Average molar mass
- 263.03 g/mol
- Monoisotopic mass
- 262.94433
Names & identifiers
- Preferred name
- 4-Iodo-2-nitrotoluene
- IUPAC
- 4-iodo-1-methyl-2-nitrobenzene
- English name
- 4-Iodo-2-nitrotoluene
- Molecular formula
- C7H6INO2
- Molecular weight
- 263.03
Names & synonyms
4-Iodo-2-nitrotoluene41252-97-54-iodo-1-methyl-2-nitrobenzeneBenzene, 4-iodo-1-methyl-2-nitro-6ZT8U6W83DDTXSID001941753-IODO-6-METHYLNITROBENZENEEINECS 255-279-31-IODO-4-METHYL-3-NITROBENZENE4-METHYL-3-NITROPHENYL IODIDERefChem:99441DTXCID10116666
Show more names
2-nitro-4-iodotoluol2-Nitro-4-iodotolueneToluene, 4-iodo-2-nitro4-Iodo-2-nitrotoluene 95%4-Iodo-2-nitrotoluene, 97+%3-Nitro-4-methylphenyl iodide3-Nitro-4-methyl-1-iodobenzene1-Methyl-2-nitro-4-iodobenzene
255-279-3C7H6INO2MFCD000510904-iodo-1-methyl-2-nitro-benzeneMaybridge1_008109UNII-6ZT8U6W83DSCHEMBL1185484HMS564I13
Database identifiers
- CAS
41252-97-5- PubChem CID
- 170481
- DTXSID
DTXSID00194175- UNII
- 6ZT8U6W83D
- EC Number
- 255-279-3
- Nikkaji
- J320.035C
Properties
Computed structural properties
- XLogP
- 2.8
- 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
- 43 °C · 43 °C
- Boiling point
- 286.9 · 286.9±20.0 °C(Predicted)
- 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 Yellow to Orange
- Water Solubility
- Slightly soluble in water.
- Sensitive
- Light Sensitive
- CAS DataBase Reference
- 41252 · 41252-97-5(CAS DataBase Reference)
- FDA UNII
- 6 ZT8U6W83D · 6ZT8U6W83D
- 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
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (83.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (83.3%)
Safety data
- hs_code
- 2904200090
- risk_code
- 36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-22
- Hazard statements
- H315-H319-H335
- Precautionary statements
Chemistry & industry
Applications
Uses4-Iodo-2-nitrotoluene is used to produce 3-(4-methyl-3-nitro-phenyl)-1H-indole at the temperature of 40°C.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Related reactions
21 records
Compound notes
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