Basic information
- Standard SMILES
O=[N+]([O-])c1ccccc1I- InChIKey
JXMZUNPWVXQADG-UHFFFAOYSA-N- Molecular formula
- C6H4INO2
- Average molar mass
- 249.01 g/mol
- Monoisotopic mass
- 248.92868
Names & identifiers
- Preferred name
- o-Iodonitrobenzene
- IUPAC
- 1-iodo-2-nitrobenzene
- English name
- 1-Iodo-2-nitrobenzene
- Molecular formula
- C6H4INO2
- Molecular weight
- 249.01
Names & synonyms
o-IodonitrobenzeneRefChem:5624911-Iodo-2-nitrobenzene609-73-42-Iodonitrobenzene2-Nitroiodobenzeneo-NitroiodobenzeneBenzene, 1-iodo-2-nitro-iodonitrobenzene2-iodo-1-nitrobenzene1-iodo-2-nitro-benzene1-nitro-2-iodobenzene
Show more names
2-Iononitrobenzene2-NITRO IODO BENZENE2-Nitrophenyl iodide1-iodo-2-nitro-benzen(2-Nitrophenyl) iodide
MFCD00007088NSC-97932-nitro-1-iodobenzeneNSC9793NSC 97932-iodo-nitrobenzene2-nitro-iodobenzeneEINECS 210-200-1
Database identifiers
- CAS
609-73-4- PubChem CID
- 69115
- DTXSID
DTXSID9060574- UNII
- 5D7NBA9LSJ
- EC Number
- 210-200-1
- Nikkaji
- J96.179E
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 134
Experimental & physicochemical properties
Physical DescriptionYellow powder; [Alfa Aesar MSDS]
Kovats Retention Index1457.8
Physicochemical properties
- Melting point
- 49 · 49-51 °C(lit.)
- Boiling point
- 288 · 288-289 °C(lit.)
- Density
- 1.9186 · 1.9186
- Flash point
- 230 °F · >230 °F
- storage temp.
- Refrigerator (+4°C)
- solubility
- soluble in Methanol
- form
- Granular Powder
- color
- Yellow-green to yellow-brown
- Water Solubility
- insoluble
- Sensitive
- Light Sensitive
- BRN
- 2044110 · 2044110
- Stability
- Stable. Incompatible with strong bases, strong oxidizing agents.
- InChI
- 1S/C6H4INO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H
- InChIKey
- JXMZUNPWVXQADG-UHFFFAOYSA-N
- SMILES
- [O-][N+](=O)c1ccccc1I
- CAS DataBase Reference
- 609 · 609-73-4(CAS DataBase Reference)
- FDA UNII
- 5 D7NBA9LSJ · 5D7NBA9LSJ
- NIST Chemistry Reference
- 1 · Benzene, 1-iodo-2-nitro-(609-73-4)
- EPA Substance Registry System
- 1 · Benzene, 1-iodo-2-nitro- (609-73-4)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301+H311+H331-H315-H319-H335
- Precautionary statements
- 501 · P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn,Xi
- Risk Statements
- 20 · 20/21/22-36/37/38-36-33
- Safety Statements
- 26 · 26-36-36/37/39
- RIDADR
- 2811 · 2811
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HazardClass
- IRRITANT
- HS Code
- 29049090 · 29049090
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (95.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (95.8%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (95.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (95.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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 48 reports by companies from 7 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
Hazards SummaryA skin and strong eye irritant; May induce methemoglobinemia; Toxic by ingestion and skin absorption; Harmful by inhalation; [Alfa Aesar MSDS] See 2-Bromonitrobenzene.
Hazard Classes and CategoriesAcute Tox. 4 (95.8%)；Acute Tox. 4 (95.8%)；Skin Irrit. 2 (97.9%)；Eye Irrit. 2 (97.9%)；Acute Tox. 4 (95.8%)；STOT SE 3 (95.8%)
Toxicology
Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 2811
- hs_code
- 29049090
- risk_code
- 20/21/22-36/37/38-36-33
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xn,Xi
- safety_code
- 26-36-36/37/39
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H301+H311+H331-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1-iodo-2-nitro-: ACTIVE
Applications
Uses1-Iodo-2-nitrobenzene is used as a reagent in the synthesis of 2'',4-Bis(aminophenyl)methane (B405515); an analog of 4,4''-Methylenedianiline (M304180) used in the manufacturing of resin enamel coating materials for copper wires.
Uses1-Iodo-2-nitrobenzene was used in one step synthesis of 2-(2-Pyridyl)-3H-indol-3-one N-Oxide. 1-Iodo-2-nitrobenzene was used in the synthesis of 1-(2-Nitrophenyl)-1H-indole in the presence of PEG3400 (poly(ethylene glycol))–Cs2CO3–copper pre-catalyst under microwave activation.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers24 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
北京京土恒盛化工科技有限公司00-13911456598 13911456598 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海易恩化学技术有限公司400-400-1332688 18019345275 · [email protected]
Zjartspharm Co., Ltd15068876005 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
武汉裕清嘉衡药业有限公司027-83855389 13545340383 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318584237 · [email protected]
三晶新材料科技（泰州）有限公司13852622638 · [email protected]
上海先臣化工有限公司+86-021-64606569 +86-18049800532 · [email protected]
常州市宇翔化工有限公司13809076511 · [email protected]
上海宝杨宝欣生物科技有限公司021-56698539 19921169802 · [email protected]
湖北奕化新材料科技有限公司17754433341 18086038039
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
Shaanxi LuyuanBiomedicine Co., LTD[email protected]
CD Chemical Group Limited+86-13651442114 · [email protected]
Related reactions
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