1-Chlorophthalazine

HCID 160793

Notes Reactions

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Basic information

CAS: 5784-45-2
Standard SMILES: Clc1nncc2ccccc12
InChIKey: UCOVESIAFFGEOR-UHFFFAOYSA-N
Molecular formula: C8H5ClN2
Average molar mass: 164.59 g/mol
Monoisotopic mass: 164.0141259

Names & identifiers

Preferred name: 1-Chlorophthalazine
IUPAC: 1-chlorophthalazine
English name: 1-Chlorophthalazine
Molecular formula: C8H5ClN2
Molecular weight: 164.59

Names & synonyms

1-Chlorophthalazine5784-45-2Phthalazine, 1-chloro-1-Chloro-phthalazineCCRIS 7361I1IE9W0S0CNSC-71104UNII-I1IE9W0S0CDTXSID20206547NSC 711041-CHLOROPHTHALAZINE [USP IMPURITY]1-CHLOROPHTHALAZINE (USP IMPURITY)

Show more names

Hydralazine IMpurity 021-Chloro-2,3-benzodiazineHydralazine Chloro IMpurity1-Chlorophthalazine Discontinued See C379660Hydralazine Hydrochloride Impurity: 1-ChlorophthalazineHydralazine Hydrochloride - Impurity A (Hydrochloride Salt)

RefChem:75462DTXCID50129038676-559-5MFCD00024141chlorophthalazine1chlorophthalazine1-chlorophthalazinNSC71104

Database identifiers

CAS: 5784-45-2
PubChem CID: 160793
DTXSID: DTXSID20206547
UNII: I1IE9W0S0C
EC Number: 676-559-5
Nikkaji: J29.053J

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 140

Physicochemical properties

Melting point: 109 · 109-112°C
Boiling point: 364.3 · 364.3±15.0 °C(Predicted)
Density: 1.349 · 1.349±0.06 g/cm3(Predicted)
storage temp.: -20 °C · -20°C Freezer
solubility: DMSO (Slightly), Methanol (Slightly)
form: Solid
pka: 1.74 · 1.74±0.10(Predicted)
color: Yellow to Dark Yellow
Water Solubility: Insoluble in water. Soluble in dichloromethane, ethanol and methanol.
Sensitive: Moisture Sensitive
Stability: Moisture Sensitive
FDA UNII: 1 IE9W0S0C · I1IE9W0S0C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 36 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.