CAS 82-46-2 1,5-Dichloroanthraquinone (HCID 6711)

Names & identifiers

Preferred name: 1,5-Dichloroanthraquinone
IUPAC: 1,5-dichloroanthracene-9,10-dione
English name: 1,5-DICHLOROANTHRAQUINONE
Molecular formula: C14H6Cl2O2
Molecular weight: 277.1

Names & synonyms

1,5-Dichloroanthraquinone82-46-29,10-Anthracenedione, 1,5-dichloro-1,5-Dichloro-9,10-anthraquinoneANTHRAQUINONE, 1,5-DICHLORO-S335V6MF9ENSC-13969DTXSID3058874RefChem:73465DTXCID1048251201-424-01,5-dichloroanthracene-9,10-dione

Show more names

1,5 DICHLORO AQTIMTEC-BB SBB0011105-Dichloroanthraquinone1,5-dichloro-anthraquinon

1,5-Dichloranthrachinon1,5-dichloro-9,10-anthracenedioneMFCD000011901, 5-Dichloroanthraquinone1,5-Dichloroanthra-9,10-quinone1,5-Dichloranthrachinon [Czech]EINECS 201-424-0NSC 13969

Database identifiers

CAS: 82-46-2
PubChem CID: 6711
DTXSID: DTXSID3058874
UNII: S335V6MF9E
EC Number: 201-424-0
Nikkaji: J52.235J

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 34.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 18
Formal charge: 0
Complexity: 346

Physicochemical properties

Melting point: 245 · 245-247 °C (lit.)
Boiling point: 387.84 °C · 387.84°C (rough estimate)
Density: 1.324 · 1.3240 (rough estimate)
refractive index: 1.473 · 1.4730 (estimate)
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform (Sparingly, Heated, Sonicated), Ethyl Acetate (Slightly, Heated, Sonicated)
form: Solid
color: Light Yellow to Yellow
Water Solubility: Insoluble in water.
BRN: 402592 · 402592
InChI: InChI=1S/C14H6Cl2O2/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6H
InChIKey: MQIUMARJCOGCIM-UHFFFAOYSA-N
SMILES: C1(Cl)=C2C(C(=O)C3=C(C2=O)C=CC=C3Cl)=CC=C1
CAS DataBase Reference: 82 · 82-46-2(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 335 V6MF9E · S335V6MF9E
EPA Substance Registry System: 9 · 9,10-Anthracenedione, 1,5-dichloro- (82-46-2)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319
Precautionary statements: 264 · P264-P280i-P305+P351+P338-P337+P313
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Risk Statements: 36 · 36/37/38-36
Safety Statements: 24 · 24/25-26
WGK Germany: 3 · 3
RTECS: 6495000 · CB6495000
TSCA: TSCA listed
HS Code: 29147000 · 29147000
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 3 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesEye Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
tsca: TSCA listed
rtecs: CB6495000
hs_code: 29147000
risk_code: 36/37/38-36
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25-26
Storage Class: 11 - Combustible Solids
Hazard statements: H319
Precautionary statements: P264-P280i-P305+P351+P338-P337+P313

Chemistry & industry

Uses & manufacturing

General Manufacturing Information9,10-Anthracenedione, 1,5-dichloro-: ACTIVE

Applications · 3 items

Uses1,5-Dichloroanthraquinone is an important intermediate for vat dyes and disperse blue dyes.

Uses1,5-Dichloroanthraquinone undergoes a solid-state transformation at 470 K. The two modifications are very similar, except that a is greater than b above the transition temperature and the inverse is at room temperature.

Uses1,5-Dichloroanthraquinone is a reagent in the preparation of anthraquinones, which has antitumor activities.