9-Phenanthrol

HCID 10229

Notes Reactions

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Basic information

CAS: 484-17-3
Standard SMILES: Oc1cc2ccccc2c2ccccc12
InChIKey: DZKIUEHLEXLYKM-UHFFFAOYSA-N
Molecular formula: C14H10O
Average molar mass: 194.23 g/mol
Monoisotopic mass: 194.07316494

Names & identifiers

Preferred name: 9-Phenanthrol
IUPAC: phenanthren-9-ol
English name: 9-PHENANTHROL
Molecular formula: C14H10O
Molecular weight: 194.23

Names & synonyms

Phenanthren-9-ol9-PHENANTHROL484-17-39-Hydroxyphenanthrene9-PhenanthrenolDTXSID90475929FYU45OV9HCHEBI:28820NSC-50554DTXCID7027592RefChem:108177207-602-4

Show more names

PHENANTHRENE-9-HYDROXY9-PHENANTHROL, TECH.9-Phenanthrol ，E00289-Phenanthrol,60%,tech.Trofinetide Impurity 24

NSC 50554MFCD000822989-Phenanthrol-D8CHEMBL24071829-Hydroxyphenanthrene; NSC 50554CCRIS 1840EINECS 207-602-49-Phenanthrenol; 9-Hydroxyphenanthrene; NSC 50554;

Database identifiers

CAS: 484-17-3
PubChem CID: 10229
DTXSID: DTXSID9047592
ChEMBL: CHEMBL2407182
ChEBI: CHEBI:28820
UNII: 9FYU45OV9H
EC Number: 207-602-4
Nikkaji: J69.853I

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 225

Physicochemical properties

Melting point: 139 · 139-143 °C(lit.)
Boiling point: 290.68 °C · 290.68°C (rough estimate)
Density: 1.055 · 1.0550 (rough estimate)
refractive index: 1.592 · 1.5920 (estimate)
storage temp.: 2 · Sealed in dry,2-8°C
solubility: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
form: Brown solid
pka: 9.4 · 9.40±0.30(Predicted)
color: Light Brown to Very Dark Red
InChI: InChI=1S/C14H10O/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9,15H
InChIKey: DZKIUEHLEXLYKM-UHFFFAOYSA-N
SMILES: C1=C2C(C3C(C(O)=C2)=CC=CC=3)=CC=C1
EWG's Food Scores: 1 · 1
FDA UNII: 9 FYU45OV9H · 9FYU45OV9H
UNSPSC Code: 51111800 · 51111800
NACRES: 77 · NA.77
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
RTECS: 8288000 · SF8288000
HS Code: 29071990 · 29071990
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
rtecs: SF8288000
hs_code: 29071990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Applications

UsesA metabolite of Phenanthrene.

Uses9-Phenanthrol was used to investigate C K-edge and O K-edge near-edge X-ray absorption fine structure (NEXAFS) spectra of single-wall carbon nanotubes.

Upstream & downstream products

Upstream raw materials

Downstream products

10-Brom-phenanthren-9-ol

Suppliers100 total

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

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

湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

Additional notes

DefinitionChEBI: A phenanthrol that is phenanthrene in which a hydrogen attached to a carbon in the central ring has been replaced by a hydroxy group.