2-Chloro-1,10-phenanthroline

HCID 355193

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Basic information

CAS: 7089-68-1
Standard SMILES: Clc1ccc2ccc3cccnc3c2n1
InChIKey: JHRMQHFRVPVGHL-UHFFFAOYSA-N
Molecular formula: C12H7ClN2
Average molar mass: 214.65 g/mol
Monoisotopic mass: 214.0297759

Names & identifiers

Preferred name: 2-Chloro-1,10-phenanthroline
IUPAC: 2-chloro-1,10-phenanthroline
English name: 2-Chloro-1,10-phenanthroline
Molecular formula: C12H7ClN2
Molecular weight: 214.65

Names & synonyms

2-chloro-1,10-phenanthroline7089-68-1DTXSID30326669RefChem:468211DTXCID70277782855-214-41,10-Phenanthroline, 2-chloro-MFCD00185678chlorophenanthrolineMLS001194861SCHEMBL14986472-Chloro-1.10-phenanthroline

Show more names

VUF 77302-Chloro-1,10-phenan2-Chloro-1,10-phenthroline2-Chloro-1,10-diazaphenanthrene2-Chloro-1,10-phenanthroline >2-Chloro-1,10-phenanthroline Cas: 7089-68-1

CHEMBL15478552-Chloro[1,10]phenanthroline #NSC6084273-Isoxazolemethanamine,5-methyl-HMS2879J04ALBB-021970AKOS001607976CS-W004568

Database identifiers

CAS: 7089-68-1
PubChem CID: 355193
DTXSID: DTXSID30326669
ChEMBL: CHEMBL1547855
EC Number: 855-214-4
Nikkaji: J575.251E

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 234

Experimental & physicochemical properties

Solubility>32.2 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Melting point: 130 °C · 130 °C
Boiling point: 391.8 · 391.8±22.0 °C(Predicted)
Density: 1.375 · 1.375
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility: soluble in Methanol
form: powder to crystal
pka: 4.22 · 4.22±0.10(Predicted)
color: White to Yellow to Orange
InChI: InChI=1S/C12H7ClN2/c13-10-6-5-9-4-3-8-2-1-7-14-11(8)12(9)15-10/h1-7H
InChIKey: JHRMQHFRVPVGHL-UHFFFAOYSA-N
SMILES: N1C2C(=CC=C3C=2N=CC=C3)C=CC=1Cl
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Safety Statements: 24 · 24/25
HS Code: 29339900 · 29339900

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.