CAS 12678-01-2 1,7-Phenanthroline (HCID 67473)

Overview

1,7-phenanthroline is a phenanthroline.

Names & identifiers

Preferred name: 1,7-Phenanthroline
IUPAC: 1,7-phenanthroline
English name: 1,7-PHENANTHROLINE
Molecular formula: C12H8N2
Molecular weight: 180.21

Names & synonyms

1,7-Phenanthroline230-46-65Y778HQU2SDTXSID50870492NSC-35679CHEBI:36418RefChem:73719DTXCID70818210MFCD00004971MLS000738106NSC3567912678-01-2

Show more names

PHENANTHROLINENSC 35679AKOS 900614,10-Phenanthroline1,7-Phenanthroline 99%Pyrido[2,3-f]quinolinePyrido[2,3-f]quinoline1

SMR000393870pyridino[2,3-f]quinolineM-PHENANTHROLINEPhenanthrolines1,5-DIAZAPHENANTHRENEm-Phenanthrolin[1,7]phenanthrolineOpera_ID_785

Database identifiers

CAS: 12678-01-2、230-46-6
PubChem CID: 67473
DTXSID: DTXSID50870492
ChEMBL: CHEMBL1529707
ChEBI: CHEBI:36418
UNII: 5Y778HQU2S
EC Number: 625-267-6
Nikkaji: J151.373G

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 204

Experimental & physicochemical properties

PolymersOther Classes -> Polycyclic Aromatic Hydrocarbons

SpringerMaterials PropertiesAngular frequency

LogP1.93

Solubility>27 [ug/mL] (The mean of the results at pH 7.4)

Vapor Pressure0.0000326 [mmHg]

Physical DescriptionTan crystalline powder; [MSDSonline]

Physicochemical properties

Melting point: 79 · 79-81 °C (lit.)
Boiling point: 303.03 °C · 303.03°C (rough estimate)
Density: 1.1836 · 1.1836 (rough estimate)
refractive index: 1.52 · 1.5200 (estimate)
RTECS: 8290000 · SF8290000
storage temp.: Sealed in dry,Room Temperature
pka: 1 · pK1:4.30(+1) (25°C)
form: Crystalline Powder
color: White to beige
Water Solubility: It is soluble in water, ethanol, ether and benzene.
Sensitive: Moisture Sensitive
InChI: 1S/C12H8N2/c1-3-9-5-6-11-10(4-2-7-13-11)12(9)14-8-1/h1-8H
InChIKey: OZKOMUDCMCEDTM-UHFFFAOYSA-N
SMILES: c1cnc2c(c1)ccc3ncccc23
CAS DataBase Reference: 230 · 230-46-6(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 5 Y778HQU2S · 5Y778HQU2S
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS06,GHS09
Signal word: Danger
Hazard statements: 301 · H301-H318-H410
Precautionary statements: 273 · P273-P280-P301+P310+P330-P305+P351+P338+P310
PPE: 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes: Xn,N,T
Risk Statements: 22 · 22-41-50/53-25
Safety Statements: 26 · 26-36/39-61-60-45-39
RIDADR: 2811 · UN 2811 6.1/PG 3
WGK Germany: 3 · 3
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 29339980 · 29339980
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 OralAquatic · Acute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (90.9%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P264+P265, P270, P273, P280, P301+P316, P305+P354+P338, P317, P321, P330, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummaryToxic by ingestion; An irritant; [MSDSonline] See POLYCYCLIC AROMATIC HYDROCARBONS.

Hazard Classes and CategoriesAcute Tox. 3 (90.9%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk: 3
ridadr: UN 2811 6.1/PG 3
hs_code: 29339980
risk_code: 22-41-50/53-25
Signal word: Danger
Symbol(GHS): GHS05,GHS06,GHS09
hazard_code: Xn,N,T
safety_code: 26-36/39-61-60-45-39
hazard_class: 6.1
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
packing_group: III
Hazard statements: H301-H318-H410
Hazard Classifications: Acute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1
Precautionary statements: P273-P280-P301+P310+P330-P305+P351+P338+P310

Chemistry & industry

Applications · 2 items

Uses1,7-Phenanthroline acts as an inhibitor of germination and growth of plants. it can be used to produce [1,7]phenanthroline-8-carbonitrile with hydrocyanic acid; potassium salt at temperature. It is also used as an intermediate and chemical research.

General Description1,7-Phenanthroline has inhibitory effect on germination and growth of plants. 1,7-Phenanthroline is an aza-analog of phenanthrene, was found to be mutagenic in the Ames test using Salmonella typhimurium TA100 in the presence of a rat liver S9 fraction. Supramolecular assemblies of 1,2,4,5-benzenetetracarboxylic acid with 1,7-phenanthroline (aza donor molecule) were investigated.

Upstream & downstream products

Upstream raw materials

Suppliers51 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Syntechem Co.,Ltd[email protected]

Additional notes

DefinitionChEBI: 1,7-phenanthroline is a phenanthroline.

Related reactions

6 records

New reaction record

HRID 165082As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 281140As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 671805As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 824174As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 960892As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1541828As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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Basic information