HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-Iodophenylhydrazine
BUTTPARK 43\57-23 · 4-IODOPHENYLHYDRAZINE · 4-Hydrazinoiodobenzene · 4-Iodophenylhydrazine 95% · 1-Hydrazino-4-iodobenzene · 1-(4-IODOPHENYL)HYDRAZINE · Hydrazine, (4-iodophenyl)- · 4-IODOPHENYLHYDRAZINE, 95+%
Identifiers & Physical Properties
| CAS No. | 13116-27-3 |
|---|---|
| Molecular formula | C6H7IN2 |
| Average molar mass | 234.04 g/mol |
| Monoisotopic mass | 233.96539622 g/mol |
| SMILES | NNc1ccc(I)cc1 |
| InChIKey | IQMLCMKMSBMMGR-UHFFFAOYSA-N |
| PubChem CID | 704591 |
| EC No. | 626-382-4 |
| DTXSID | DTXSID60351606 |
Chemical & Physical Properties
| XLogP | 2.5 |
|---|---|
| Topological polar surface area | 38.1 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 79.1 |
| Melting point | 102-106 °C (lit.) |
| Boiling point | 304.8±25.0 °C(Predicted) |
| Density | 1.981±0.06 g/cm3(Predicted) |
| Storage conditions | Keep in dark place,Inert atmosphere,Store in freezer, under -20°C |
| pKa (acidity coefficient) | 4.91±0.20(Predicted) |
| Physical state | solid |
| Color | Tan |
| Solubility | Insoluble in water. |
| Sensitivity | Light Sensitive |
| BRN | 742475 |
| InChI | InChI=1S/C6H7IN2/c7-5-1-3-6(9-8)4-2-5/h1-4,9H,8H2 |
| InChIKey | IQMLCMKMSBMMGR-UHFFFAOYSA-N |
| SMILES | N(C1=CC=C(I)C=C1)N |
| CAS DataBase Reference | 13116-27-3(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H315-H317-H319-H335 |
| GHS precautionary statements | P280-P301+P312+P330-P302+P352-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Faceshields, Gloves |
| Hazard symbols | Xn,Xi |
| Risk statements (R) | 22-36/37/38-43-40-20/21/22 |
| Safety statements (S) | 26-45-36/37/39-24-36/37 |
| UN transport number | 2811 |
| Water hazard class (WGK) | 3 |
| Hazard Note | Harmful/Light Sensitive |
| Hazard class | IRRITANT-HARMFUL, LIGHT SENSITIVEAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3 |
| Packing group | III |
| Customs code | 29280000 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| GHS classification | WarningH302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.7%) |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Faceshields, Gloves |
| Water hazard class (WGK) | 3 |
| UN transport number | 2811 |
| Customs code | 29280000 |
| Risk statements (R) | 22-36/37/38-43-40-20/21/22 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xn,Xi |
| hazard_note | Harmful/Light Sensitive |
| Safety statements (S) | 26-45-36/37/39-24-36/37 |
| Hazard class | IRRITANT-HARMFUL, LIGHT SENSITIVEAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3 |
| Storage class | 11 - Combustible Solids |
| Packing group | III |
| Target organs | Respiratory system |
| GHS hazard statements | H302-H315-H317-H319-H335 |
| GHS precautionary statements | P280-P301+P312+P330-P302+P352-P305+P351+P338 |
Applications & Uses
Uses
It can be used in agrochemical, pharmaceutical and dyestuff field.