3,6-Dichloropyridazine-4-carboxylic acid

HCID 433804

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Basic information

CAS: 51149-08-7
Standard SMILES: O=C(O)c1cc(Cl)nnc1Cl
InChIKey: FRCXPDWDMAYSCE-UHFFFAOYSA-N
Molecular formula: C5H2Cl2N2O2
Average molar mass: 192.98 g/mol
Monoisotopic mass: 191.94933266

Names & identifiers

Preferred name: 3,6-Dichloropyridazine-4-carboxylic acid
IUPAC: 3,6-dichloropyridazine-4-carboxylic acid
English name: 3,6-Dichloropyridazine-4-carboxylic acid
Molecular formula: C5H2Cl2N2O2
Molecular weight: 192.99

Names & synonyms

3,6-Dichloropyridazine-4-carboxylic acid51149-08-7DTXSID20330952RefChem:272341DTXCID60282047628-653-23,6-dichloro-4-pyridazinecarboxylic acidMFCD000115754-Pyridazinecarboxylic acid, 3,6-dichloro-3,6-dichloro-4-carboxy-pyridazine3,6-Dichloropyridazine-4-carboxylicacidEnamine_001708

Show more names

IFLAB-BB F3111-00703,6-DICHLOROPYRIDAZINE-4-CA3,6-Dichloro-4-pyridazine...3,6-Dichloropyridazine-4-Carbo4-Carboxy-3,6-dichloropyridazine3,6-DICHLOROPYRIDAZINE-4-CARBOXYLIC3,6-DICHLOROPYRIDAZINECARBOXYLIC ACID6-Dichloropyridazine-4-carboxylic acid3,6-Dichlorpyridazine-4-carboxylic acid

AM20100256FT-0600407SCHEMBL104396SCHEMBL294128813,6-Dichloropyridazine-4-carboxyFRCXPDWDMAYSCE-UHFFFAOYSA-NHMS1398N14SBB028516

Database identifiers

CAS: 51149-08-7
PubChem CID: 433804
DTXSID: DTXSID20330952
EC Number: 628-653-2

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 63.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 167

Physicochemical properties

Melting point: 142 °C · 142 °C (dec.) (lit.)
Boiling point: 424.8 · 424.8±40.0 °C(Predicted)
Density: 1.718 · 1.718±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
pka: 0.59 · 0.59±0.32(Predicted)
form: Powder or Crystalline Powder
color: White to off-white
BRN: 610056 · 610056
InChI: InChI=1S/C5H2Cl2N2O2/c6-3-1-2(5(10)11)4(7)9-8-3/h1H,(H,10,11)
InChIKey: FRCXPDWDMAYSCE-UHFFFAOYSA-N
SMILES: C1(Cl)=NN=C(Cl)C=C1C(O)=O
CAS DataBase Reference: 51149 · 51149-08-7(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29339900 · 29339900
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.