HuagongsheHuagongshe Chemistry Print Report · For research reference only
Nitrosohexamethylenimine
NHI · n-6-mi · 1-nitrosoazepane · n-nitrosoazacycloheptane · n-nitrosoperhydroazepine · n-nitrosohexahydroazepine · Pivmecillinam Impurity 10 · HEXAHYDRO-1-NITROSOAZEPINE
Identifiers & Physical Properties
| CAS No. | 932-83-2 |
|---|---|
| Molecular formula | C6H12N2O |
| Average molar mass | 128.17 g/mol |
| Monoisotopic mass | 128.09496301 g/mol |
| SMILES | O=NN1CCCCCC1 |
| InChIKey | UZMVSVHUTOAPTD-UHFFFAOYSA-N |
| PubChem CID | 13613 |
| ChEMBL | CHEMBL165191 |
| EC No. | 213-258-6 |
| DTXSID | DTXSID0021040 |
Chemical & Physical Properties
| XLogP | 0.9 |
|---|---|
| Topological polar surface area | 32.7 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 0 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 87.1 |
| Chemical classes | Nitrogen Compounds -> Nitrosamines |
| LogP (partition coefficient) | 0.92 |
| Vapor pressure | 0.45 [mmHg] |
| Physical Description | Yellow liquid[Sigma-Aldrich MSDS] |
| Boiling point | 233 °C(lit.) |
| Density | 1.06 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.497(lit.) |
| Flash point | 99 °C |
| Storage conditions | 2-8°C |
| Solubility | Chloroform (Slightly), Methanol (Slightly)12.82g/L(24 ºC) |
| Physical state | Oil |
| pKa (acidity coefficient) | -3.18±0.20(Predicted) |
| Color | Colourless |
| Henry's law constant | 4.3×101 mol/(m3Pa) at 25℃, Mirvish et al. (1976) |
| FDA UNII | N67X53N3YT |
| Proposition 65 List | N-Nitrosohexamethyleneimine |
| GHS pictogram | GHS07,GHS08 |
| Signal word | Danger |
| GHS hazard statements | H302-H315-H319-H335-H350 |
| GHS precautionary statements | P201-P261-P305+P351+P338-P308+P313 |
| Hazard symbols | T |
| Risk statements (R) | 45-22-36/37/38 |
| Safety statements (S) | 53-36/37/39-45 |
| Water hazard class (WGK) | 3 |
| RTECS number | CM3325000 |
| Toxicity | LD50 orl-rat: 336 mg/kg CNREA8 28,1217,68 |
Safety & Regulations
| GHS classification | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatory information | Hazard Traits - Carcinogenicity |
| Hazards summary | Causes convulsions in oral lethal-dose studies of ratsCauses other liver changes, chronic pulmonary edema, and changes in blood vessels or circulation of the kidney in subcutaneous lethal-dose studies of mice[RTECS] A skin and strong eye irritantHarmful by ingestionPossible carcinogen[Sigma-Aldrich MSDS] See NITROSAMINES. |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Water hazard class (WGK) | 3 |
| RTECS number | CM3325000 |
| Toxicity | LD50 orl-rat: 336 mg/kg CNREA8 28,1217,68 |
| Risk statements (R) | 45-22-36/37/38 |
| Signal word | Danger |
| GHS pictogram | GHS07,GHS08 |
| Hazard symbols | T |
| Safety statements (S) | 53-36/37/39-45 |
| GHS hazard statements | H302-H315-H319-H335-H350 |
| GHS precautionary statements | P201-P261-P305+P351+P338-P308+P313 |
Applications & Uses
Uses
N-Nitrosohexamethylenimine is a carcinogen.