Basic information
- CAS
636-98-6- Standard SMILES
O=[N+]([O-])c1ccc(I)cc1- InChIKey
SCCCFNJTCDSLCY-UHFFFAOYSA-N- Molecular formula
- C6H4INO2
- Average molar mass
- 249.01 g/mol
- Monoisotopic mass
- 248.92867637
Names & identifiers
- Preferred name
- 1-Iodo-4-nitrobenzene
- IUPAC
- 1-iodo-4-nitrobenzene
- English name
- 1-Iodo-4-nitrobenzene
- Molecular formula
- C6H4INO2
- Molecular weight
- 249.01
Names & synonyms
1-Iodo-4-nitrobenzene4-IODONITROBENZENEBenzene, 1-iodo-4-nitro-NSC 9794EINECS 211-272-7AI3-08878DTXSID7060914pIodonitrobenzenepNitroiodobenzene4Iodonitrobenzene4NitroiodobenzenepNitrophenyl iodide
Show more names
P-NITROIODOBENZENE4-Nitroiodobenzene1-lodo-4-nitrobenzeneAURORA KA-6698IODONITROBENZENEp-Nitrophenyl iodide4-NITRO-1-IODOBENZENE
Benzene, 1iodo4nitroRefChem:76091DTXCID1044019211-272-7InChI=1/C6H4INO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4SCCCFNJTCDSLCY-UHFFFAOYSA-N636-98-6p-Iodonitrobenzene
Database identifiers
- CAS
636-98-6- PubChem CID
- 12495
- DTXSID
DTXSID7060914- UNII
- NH3N3MPW9D
- EC Number
- 211-272-7
- Nikkaji
- J47.124K
Properties
Computed structural properties
- XLogP
- 2.7
- 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
- 126
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Nitros, Aromatic
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physical DescriptionYellow powder; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 171 · 171-173 °C(lit.)
- Boiling point
- 289 °C772 · 289 °C772 mm Hg(lit.)
- Density
- 1.809 · 1.8090
- Flash point
- 100 °C · 100 °C
- storage temp.
- Keep Cold
- form
- Powder
- color
- Brownish
- Water Solubility
- insoluble
- Sensitive
- Light Sensitive
- BRN
- 1100378 · 1100378
- Stability
- Stable. Incompatible with strong bases, strong oxidizing agents.
- InChI
- InChI=1S/C6H4INO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H
- InChIKey
- SCCCFNJTCDSLCY-UHFFFAOYSA-N
- SMILES
- C1(I)=CC=C([N+]([O-])=O)C=C1
- CAS DataBase Reference
- 636 · 636-98-6(CAS DataBase Reference)
- FDA UNII
- 3 N3MPW9D · NH3N3MPW9D
- NIST Chemistry Reference
- 1 · Benzene, 1-iodo-4-nitro-(636-98-6)
- EPA Substance Registry System
- 1 · Benzene, 1-iodo-4-nitro- (636-98-6)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
- 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 · 26-37/39-36/37/39-36
- RIDADR
- 2811 · UN 2811 6.1/PG 2
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- TSCA
- TSCA listed
- HazardClass
- IRRITANT, KEEP COLD, LIGHT SENSITIVE
- 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 (100%): 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryA skin and strong eye irritant; May induce methemoglobinemia; Harmful by inhalation; Toxic by ingestion and skin absorption; [Alfa Aesar MSDS] See 1-Iodo-2-nitrobenzene. See 1-Bromo-4-nitrobenzene.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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
- UN 2811 6.1/PG 2
- hs_code
- 29049090
- risk_code
- 20/21/22-36/37/38-36-33
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- hazard_note
- Irritant
- safety_code
- 26-37/39-36/37/39-36
- hazard_class
- IRRITANT, KEEP COLD, LIGHT SENSITIVE
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1-iodo-4-nitro-: ACTIVE
Applications
Uses1-Iodo-4-nitrobenzene is an important raw material and intermediate used in organic synthesis, pharmaceuticals agrochemicals and dyestuff fields.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers38 total
湖北鑫杰成化工科技有限公司13554075426 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
武汉市皇臻生物化工有限公司13795480948 · [email protected]
广东大小化工有限公司1866-171603 18666171603 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [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]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
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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]
成都华纯科技有限公司400-1166-196 15982826727 · [email protected]
毕升化学（上海）有限公司19852830193 19852830193 · [email protected]
武汉赢元贝商贸有限公司86-13349903920 13349903920 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
北京迈瑞达科技有限公司010-82387566 · [email protected]
常州新星联生物科技有限公司+86-0519-85551759 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [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]
上海宏驹医药科技有限公司18001895509 · [email protected]
山东烨阳化工有限公司15692312955 · [email protected]
安庆合诚新材料科技有限公司18055625120 · [email protected]
山东君烽新材料有限公司17663721258 17663721258
CD Chemical Group Limited+86-13651442114 · [email protected]
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南京英特美科技有限公司18501091076 · [email protected]
山东彬睿特新材料有限公司0533-2866658 15615638350 · [email protected]
上海科醚化学科技有限公司021-58690851 15690882017 · [email protected]
Henan Fengda Chemical Co., Ltd+86-371-86557731 +86-13613820652 · [email protected]
南京利瑞医药贸易有限公司15951922363
Related reactions
119 records
Compound notes
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