CAS 613-31-0 9,10-Dihydroanthracene (HCID 11940)

Names & identifiers

Preferred name: 9,10-Dihydroanthracene
IUPAC: 9,10-dihydroanthracene
English name: 9,10-Dihydroanthracene
Molecular formula: C14H12
Molecular weight: 180.25

Names & synonyms

9,10-DIHYDROANTHRACENEAnthracene, 9,10-dihydro-Anthracene, dihydro-dihydroanthraceneZ142C238GBNSC 30805NSC-30805UNII-Z142C238GBDTXSID3075256AI3-09026EINECS 210-336-1Anthracene, dihydro

Show more names

Trofinetide Impurity 206-Methoxy-1-Tetralone99%9,10-Dihydroanthracene>9,10-Dihydroanthracene,99%9,10-Dihydroanthracene,90%,tech.9,10-DIHYDROANTHRACENE, TECHN. 90%9,10-DIHYDROANTHRACENE OEKANAL9,10-DIHYDROANTHRACENE, TECH., 85%

RefChem:107501Anthracene, 9,10dihydroDTXCID6042999210-336-1InChI=1/C14H12/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-8H,9-10HWPDAVTSOEQEGMS-UHFFFAOYSA-N613-31-09,10-Dihydro-anthracene

Database identifiers

CAS: 613-31-0
PubChem CID: 11940
DTXSID: DTXSID3075256
ChEMBL: CHEMBL125337
UNII: Z142C238GB
EC Number: 210-336-1
Nikkaji: J43.471J

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 154

Experimental & physicochemical properties

PolymersOther Classes -> Polycyclic Aromatic Hydrocarbons

SpringerMaterials PropertiesBoiling point

LogP4.25

Vapor Pressure0.00129 [mmHg]

Physical DescriptionSolid; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point: 103 · 103-107 °C (lit.)
Boiling point: 312 °C · 312 °C (lit.)
Density: 0.88 g/mL · 0.88 g/mL at 25 °C (lit.)
refractive index: 1.6415 · 1.6415 (estimate)
storage temp.: Sealed in dry,Room Temperature
form: powder to crystal
color: White to Almost white
Water Solubility: 1.332 mg/L · 1.332mg/L(24.59 ºC)
BRN: 1364575 · 1364575
Henry's Law Constant: 1.5 · 1.5×10-1 mol/(m3Pa) at 25℃, Schröder et al. (2010)
Stability: Stable. Combustible. Incompatible with strong oxidizing agents.
InChI: InChI=1S/C14H12/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-8H,9-10H2
InChIKey: WPDAVTSOEQEGMS-UHFFFAOYSA-N
SMILES: C1=C2C(CC3=C(C2)C=CC=C3)=CC=C1
CAS DataBase Reference: 613 · 613-31-0(CAS DataBase Reference)
FDA UNII: 142 C238GB · Z142C238GB
EPA Substance Registry System: 9 · Anthracene, 9,10-dihydro- (613-31-0)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 9 · GHS09
Signal word: Warning
Hazard statements: 400 · H400
Precautionary statements: 273 · P273
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 22 · 22-24/25-36/37-26
RIDADR: 3077 · UN 3077 9 / PGIII
WGK Germany: 3 · 3
HS Code: 2902.9 · 2902.90.9000
HazardClass: 9 · 9
PackingGroup: III
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 1 · Aquatic Acute 1
Excepted Quantities: Non-Hazardous

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory InformationChemical: Anthracene, 9,10-dihydro-

Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS] See POLYCYCLIC AROMATIC HYDROCARBONS.

Hazard Classes and CategoriesAquatic Acute 1 (100%)

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
ridadr: UN 3077 9 / PGIII
hs_code: 2902.90.9000
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS09
hazard_code: Xi
safety_code: 22-24/25-36/37-26
hazard_class: 9
Storage Class: 11 - Combustible Solids
packing_group: III
Hazard statements: H400
Excepted Quantities: Non-Hazardous
Hazard Classifications: Aquatic Acute 1
Precautionary statements: P273

Chemistry & industry

Applications · 2 items

Uses9,10-Dihydroanthracene(DHA) has been used in a study to assess the hydrogen abstraction capability of valence-delocalized iron complex with DHA in MeCN.

General Description9,10-Dihydroanthracene causes the transfer hydrogenation of C60 and C70 in the presence of [7H]benzanthrene catalyst. It was oxidatively aromatized to the corresponding anthracene in the presence of molecular oxygen as an oxidant and activated carbon as a promoter in xylene.