HuagongsheHuagongshe Chemistry Print Report · For research reference only
3,6-Dichloropyridazine
3,6-dichlorpyridazine · 3,6-DichL · AURORA KA-6560 · IFLAB-BB F1918-0076 · 6-Dichloropyridazine · 3,6-Dichloropyridazi · 3,6-Dichloro Pyridine · 3,6-DICHLOROPYRIDAZINE
Identifiers & Physical Properties
| CAS No. | 141-30-0 |
|---|---|
| Molecular formula | C4H2Cl2N2 |
| Average molar mass | 148.98 g/mol |
| Monoisotopic mass | 147.95950342 g/mol |
| SMILES | Clc1ccc(Cl)nn1 |
| InChIKey | GUSWJGOYDXFJSI-UHFFFAOYSA-N |
| PubChem CID | 67331 |
| EC No. | 205-478-6 |
| DTXSID | DTXSID4059704 |
Chemical & Physical Properties
| XLogP | 1.7 |
|---|---|
| Topological polar surface area | 25.8 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 8 |
| Formal charge | 0 |
| Complexity | 68.4 |
| Chemical classes | Nitrogen Compounds -> Other Aromatics (Nitrogen) |
| SpringerMaterials Properties | Schoenflies notation |
| LogP (partition coefficient) | 0.93 |
| Physical Description | Solid[Sigma-Aldrich MSDS] |
| Melting point | 65-69 °C (lit.) |
| Boiling point | 244.21°C (rough estimate) |
| Density | 1.6445 (rough estimate) |
| Refractive index | 1.6300 (estimate) |
| Storage conditions | Keep in dark place,Sealed in dry,Room Temperature |
| Solubility | 0.0012g/lSoluble in chloroform. Insoluble in water. |
| pKa (acidity coefficient) | -1.18±0.10(Predicted) |
| Physical state | Crystalline Powder |
| Color | White to almost white |
| BRN | 111151 |
| InChI | InChI=1S/C4H2Cl2N2/c5-3-1-2-4(6)8-7-3/h1-2H |
| InChIKey | GUSWJGOYDXFJSI-UHFFFAOYSA-N |
| SMILES | C1(Cl)=NN=C(Cl)C=C1 |
| CAS DataBase Reference | 141-30-0(CAS DataBase Reference) |
| NIST Chemistry Reference | Pyridazine, 3,6-dichloro-(141-30-0) |
| EPA Substance Registry System | Pyridazine, 3,6-dichloro- (141-30-0) |
| UNSPSC Code | 12352101 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302 |
| GHS precautionary statements | P264-P270-P301+P312-P501 |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Faceshields, Gloves |
| Hazard symbols | Xi,T |
| Risk statements (R) | 36/37/38-25-20 |
| Safety statements (S) | 26-37/39-45-22-36/39-36 |
| UN transport number | 2811 |
| Water hazard class (WGK) | 3 |
| RTECS number | UR5886250 |
| Hazard Note | Irritant |
| TSCA inventory status | TSCA listed |
| Hazard class | 6.1Acute Tox. 4 Oral |
| Packing group | III |
| Customs code | 29339900 |
| Storage class | 11 - Combustible Solids |
| Toxicity | rat,LC50,inhalation,> 1070mg/m3/4H (1070mg/m3),BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)BEHAVIORAL: ATAXIA,National Technical Information Service. Vol. OTS0543107, |
| REACH registrations | Active |
Safety & Regulations
| GHS classification | DangerH301 (81%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, 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 58 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.WarningH373: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] |
|---|---|
| Regulatory information | Status: Active Update: 05-11-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32994 |
| Hazards summary | Causes somnolence, ataxia, and weight loss in inhalation lethal-concentration studies of ratsCauses somnolence and muscle weakness in oral lethal-dose studies of rats[RTECS] A skin and strong eye irritantToxic by ingestion[Sigma-Aldrich MSDS] See Maleic hydrazide and Pyrazon. |
| Hazard Classes and Categories | Acute Tox. 3 (81%)Specific target organ toxicity - Repeated exposure - Category 2 (liver, kidney, testis) |
| Toxicity Data | LC50 (rat) > 1,070 mg/m3/4hr |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Faceshields, Gloves |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| RTECS number | UR5886250 |
| UN transport number | 2811 |
| Customs code | 29339900 |
| Toxicity | rat,LC50,inhalation,> 1070mg/m3/4H (1070mg/m3),BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)BEHAVIORAL: ATAXIA,National Technical Information Service. Vol. OTS0543107, |
| Risk statements (R) | 36/37/38-25-20 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi,T |
| hazard_note | Irritant |
| Safety statements (S) | 26-37/39-45-22-36/39-36 |
| Hazard class | 6.1Acute Tox. 4 Oral |
| Storage class | 11 - Combustible Solids |
| Packing group | III |
| GHS hazard statements | H302 |
| REACH registrations | Active |
| GHS precautionary statements | P264-P270-P301+P312-P501 |
Applications & Uses
Uses
3,6-Dichloropyridazine is used as an intermediate in synthetic chemistry, especially in active pharmaceutical ingredients. It is used in the preparation of alfa-(halohetaroyl)-2-azahetarylacetonitriles.