Basic information
- CAS
230-07-9- Standard SMILES
c1cnc2ccc3ncccc3c2c1- InChIKey
DATYUTWESAKQQM-UHFFFAOYSA-N- Molecular formula
- C12H8N2
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.06874826
Overview
4,7-phenanthroline is a phenanthroline.
Names & identifiers
- Preferred name
- 4,7-Phenanthroline
- IUPAC
- 4,7-phenanthroline
- English name
- 4,7-PHENANTHROLINE
- Molecular formula
- C12H8N2
- Molecular weight
- 180.21
Names & synonyms
4,7-Phenanthroline230-07-9WQM4R8KEX6DTXSID30177552NSC-35680CHEBI:36419RefChem:96773DTXCID90100043625-473-6MFCD00004987[4,7]phenanthrolinePSEUDOPHENANTHROLINE
Show more names
P-PHENANTHROLINEAKOS 92616AKOS BBS-00001338OTAVA-BB BB71109525511,8-Diazaphenanthrene4,7-Phenanthroline 98%P-PHENANTHROLINE (4,7)4,7-Phenanthroline (7CI, 8CI, 9CI, ACI)
MLS000738107NSC 356804,7-Phenanthroline, 98%HMS2749P03F3099-7191AS-56977SMR000393871CS-0155686
Database identifiers
- CAS
230-07-9- PubChem CID
- 67472
- DTXSID
DTXSID30177552- ChEMBL
CHEMBL81429- ChEBI
CHEBI:36419- UNII
- WQM4R8KEX6
- EC Number
- 625-473-6
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 182
Experimental & physicochemical properties
SpringerMaterials PropertiesAngular frequency
LogP2.05
Physicochemical properties
- Melting point
- 172 · 172-174 °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)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 4.3 · 4.30±0.10(Predicted)
- form
- Crystalline Powder
- color
- White to beige
- Water Solubility
- 1.442 g/L · 1.442g/L(temperature not stated)
- InChI
- 1S/C12H8N2/c1-3-9-10-4-2-8-14-12(10)6-5-11(9)13-7-1/h1-8H
- InChIKey
- DATYUTWESAKQQM-UHFFFAOYSA-N
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29339900
- risk_code
- 22-41-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn
- safety_code
- 26-39-36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H318
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses4,7-Phenanthroline was used in preparation of:cyclic tetranuclear half-sandwich ruthenium(II) complexespositively charged homochiral cyclic trinuclear metallacalix[3]arene species
General Description4,7-Phenanthroline reacts with ruthenium carbonyl to yield cyclometalated derivatives.
Suppliers44 total
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
Related reactions
7 records
Compound notes
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