HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Chloro-4-iodoaniline
3-Chloro-4-iodo-phenylamine · 3-CHLORO-4-IODOANILINE · 3-Chloro-4-iodoaniline,98% · 3-Chloro-4-iodoaniline >3-Chloro-4-iodobenzenamine · 4-Amino-2-chloroiodobenzene · Benzenamine, 3-chloro-4-iodo- · 3-Chloro-4-iodoaniline, 95.0%(GC)
Identifiers & Physical Properties
| CAS No. | 135050-44-1 |
|---|---|
| Molecular formula | C6H5ClIN |
| Average molar mass | 253.47 g/mol |
| Monoisotopic mass | 252.91552484 g/mol |
| SMILES | Nc1ccc(I)c(Cl)c1 |
| InChIKey | ONZHMGRKWJMTDE-UHFFFAOYSA-N |
| PubChem CID | 282926 |
| EC No. | 603-892-5 |
| DTXSID | DTXSID00300451 |
Chemical & Physical Properties
| XLogP | 2.5 |
|---|---|
| Topological polar surface area | 26 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 0 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 99.1 |
| Melting point | 65-70 °C |
| Boiling point | 312.8±27.0 °C(Predicted) |
| Density | 1.9011 (estimate) |
| Flash point | 143℃ |
| Storage conditions | 2-8°C |
| Solubility | soluble in Methanol |
| Physical state | powder to crystal |
| pKa (acidity coefficient) | 2.75±0.10(Predicted) |
| Color | White to Amber to Dark purple |
| Sensitivity | Light Sensitive |
| BRN | 3236464 |
| InChI | InChI=1S/C6H5ClIN/c7-5-3-4(9)1-2-6(5)8/h1-3H,9H2 |
| InChIKey | ONZHMGRKWJMTDE-UHFFFAOYSA-N |
| SMILES | C1(N)=CC=C(I)C(Cl)=C1 |
| CAS DataBase Reference | 135050-44-1(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS06 |
| Signal word | Danger |
| GHS hazard statements | H301-H312+H332-H315-H319-H335 |
| GHS precautionary statements | P261-P280-P301+P310-P302+P352+P312-P304+P340+P312-P305+P351+P338 |
| Target organs | Respiratory system |
| Hazard symbols | Xn,Xi |
| Risk statements (R) | 36/37/38-20/21/22 |
| Safety statements (S) | 36/37/39-26 |
| UN transport number | UN2811 |
| Water hazard class (WGK) | 3 |
| Hazard Note | Irritant |
| Hazard class | 6.1Acute Tox. 3 OralAcute Tox. 4 DermalAcute Tox. 4 InhalationEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Packing group | III |
| Customs code | 29214200 |
| Storage class | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Safety & Regulations
| GHS classification | DangerH301 (89.1%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (89.1%) |
| Water hazard class (WGK) | 3 |
| UN transport number | UN2811 |
| Customs code | 29214200 |
| Risk statements (R) | 36/37/38-20/21/22 |
| Signal word | Danger |
| GHS pictogram | GHS06 |
| Hazard symbols | Xn,Xi |
| hazard_note | Irritant |
| Safety statements (S) | 36/37/39-26 |
| Hazard class | 6.1Acute Tox. 3 OralAcute Tox. 4 DermalAcute Tox. 4 InhalationEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Storage class | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Packing group | III |
| Target organs | Respiratory system |
| GHS hazard statements | H301-H312+H332-H315-H319-H335 |
| GHS precautionary statements | P261-P280-P301+P310-P302+P352+P312-P304+P340+P312-P305+P351+P338 |
Applications & Uses
Uses
3-Chloro-4-iodoaniline used as a intermediate for organic syntheses.