Basic information
- Standard SMILES
Clc1ccc(Cl)nn1- InChIKey
GUSWJGOYDXFJSI-UHFFFAOYSA-N- Molecular formula
- C4H2Cl2N2
- Average molar mass
- 148.98 g/mol
- Monoisotopic mass
- 147.95950342
Names & identifiers
- Preferred name
- 3,6-Dichloropyridazine
- IUPAC
- 3,6-dichloropyridazine
- English name
- 3,6-Dichloropyridazine
- Molecular formula
- C4H2Cl2N2
- Molecular weight
- 148.98
Names & synonyms
3,6-DichloropyridazinePyridazine, 3,6-dichloro-EINECS 205-478-6NSC 54498DTXSID4059704RefChem:91740Pyridazine, 3,6dichloroDTXCID0034568205-478-6GUSWJGOYDXFJSI-UHFFFAOYSA-NInChI=1/C4H2Cl2N2/c5-3-1-2-4(6)8-7-3/h1-2141-30-0
Show more names
3,6-dichlorpyridazine3,6-DichLAURORA KA-6560IFLAB-BB F1918-00766-Dichloropyridazine3,6-Dichloropyridazi3,6-Dichloro Pyridine3,6-dichloro-pyridazinLABOTEST-BB LT01148255
3,6-Dichloro-pyridazineMFCD00006466NSC-54498Resmetirom Impurity 13,6-dichloropyridazin3,6-dichloro pyridazineNSC544983,6 dichloropyridazine
Database identifiers
- CAS
141-30-0- PubChem CID
- 67331
- DTXSID
DTXSID4059704- UNII
- TJY3UR6EDV
- EC Number
- 205-478-6
- Nikkaji
- J52.353D
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 68.4
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
SpringerMaterials PropertiesSchoenflies notation
LogP0.93
Physical DescriptionSolid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 65 · 65-69 °C (lit.)
- Boiling point
- 244.21 °C · 244.21°C (rough estimate)
- Density
- 1.6445 · 1.6445 (rough estimate)
- refractive index
- 1.63 · 1.6300 (estimate)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- 0.0012 g/l · 0.0012g/l
- pka
- -1.18 · -1.18±0.10(Predicted)
- form
- Crystalline Powder
- color
- White to almost white
- Water Solubility
- Soluble in chloroform. Insoluble in water.
- BRN
- 111151 · 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 · 141-30-0(CAS DataBase Reference)
- NIST Chemistry Reference
- 3 · Pyridazine, 3,6-dichloro-(141-30-0)
- EPA Substance Registry System
- 3 · Pyridazine, 3,6-dichloro- (141-30-0)
- UNSPSC Code
- 12352101 · 12352101
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P501
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- Hazard Codes
- Xi,T
- Risk Statements
- 36 · 36/37/38-25-20
- Safety Statements
- 26 · 26-37/39-45-22-36/39-36
- RIDADR
- 2811 · 2811
- WGK Germany
- 3 · 3
- RTECS
- 5886250 · UR5886250
- Hazard Note
- Irritant
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 29339900 · 29339900
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
- Toxicity
- 50 · 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 & regulation
GHS classification
GHS Classification
Danger
H301 (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.
Warning
H373: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
Hazard information
Regulatory InformationStatus: 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 rats; Causes somnolence and muscle weakness in oral lethal-dose studies of rats; [RTECS] A skin and strong eye irritant; Toxic 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)
Toxicology
Toxicity DataLC50 (rat) > 1,070 mg/m3/4hr
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- UR5886250
- ridadr
- 2811
- hs_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_code
- 36/37/38-25-20
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,T
- hazard_note
- Irritant
- safety_code
- 26-37/39-45-22-36/39-36
- hazard_class
- 6.1
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- Hazard statements
- H302
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPyridazine, 3,6-dichloro-: ACTIVE
Applications
Uses3,6-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.
Upstream & downstream products
Upstream raw materials
Downstream products
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