CAS 10132-01-1 1-Chloro-4-phenylphthalazine (HCID 272109)

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Basic information

CAS: 10132-01-1
Standard SMILES: Clc1nnc(-c2ccccc2)c2ccccc12
InChIKey: WJJDLSHYLZRFDD-UHFFFAOYSA-N
Molecular formula: C14H9ClN2
Average molar mass: 240.69 g/mol
Monoisotopic mass: 240.04542597

Names & identifiers

Preferred name: 1-Chloro-4-phenylphthalazine
IUPAC: 1-chloro-4-phenylphthalazine
English name: 1-CHLORO-4-PHENYLPHTHALAZINE
Molecular formula: C14H9ClN2
Molecular weight: 240.69

Names & synonyms

1-chloro-4-phenylphthalazineDTXSID00297493RefChem:431426DTXCID30248630651-727-010132-01-1MFCD005247861-Chloro-4-phenyl-phthalazinePhthalazine, 1-chloro-4-phenyl-4-chloro-1-phenylphthalazineNSC116340SCHEMBL580414

Show more names

SCHEMBL29537275WJJDLSHYLZRFDD-UHFFFAOYSA-N1-Chloro-4-phenylphthalazine,96%AKOS BBS-000014701-Chloro-4-phenylphthalazine, 97%SBB039073STL199339AKOS000267412

Database identifiers

CAS: 10132-01-1
PubChem CID: 272109
DTXSID: DTXSID00297493
EC Number: 651-727-0
Nikkaji: J1.041.228E

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 253

Physicochemical properties

Melting point: 158 · 158-159℃
Boiling point: 444.4 · 444.4±30.0 °C(Predicted)
Density: 1.285 · 1.285±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Storage temp. -20°C
pka: 1.34 · 1.34±0.30(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Danger
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
HS Code: 2925199590 · 2925199590

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (90.5%): 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 42 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.