CAS 27938-76-7 2-Hydroxyanthraquinone (HCID 11796)

Overview

2-hydroxyanthraquinone is a monohydroxyanthraquinone.

Names & identifiers

Preferred name: 2-Hydroxyanthraquinone
IUPAC: 2-hydroxyanthracene-9,10-dione
English name: 2-Hydroxyanthraquinone
Molecular formula: C14H8O3
Molecular weight: 224.21

Names & synonyms

2-HYDROXYANTHRAQUINONE605-32-32-hydroxyanthracene-9,10-dione2-Hydroxy-9,10-anthraquinoneAnthraquinone, 2-hydroxy-9,10-Anthracenedione, 2-hydroxy-beta-Hydroxyanthraquinone2-Hydroxy-9,10-anthracenedioneCCRIS 9186DTXSID4049327.beta.-HydroxyanthraquinoneNSC 2595

Show more names

2-Osyanthrachinon2-hydroxy-anthraquinonHydroxyanthraquinone, 2-2-Hydroxyanthraquinone>3-Hydroxy-9,10-anthraquinone

EINECS 210-085-82-Hydroxyanthra-9,10-quinoneCHEBI:37482NSC-25952R8351U6Q0DTXCID3029283RefChem:473387210-085-8

Database identifiers

CAS: 27938-76-7、605-32-3
PubChem CID: 11796
DTXSID: DTXSID4049327
ChEMBL: CHEMBL446963
ChEBI: CHEBI:37482
UNII: 2R8351U6Q0
EC Number: 210-085-8
Nikkaji: J62.267B

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 54.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 17
Formal charge: 0
Complexity: 349

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

Melting point: 314 ℃ · 314℃ (acetic acid )
Boiling point: 325.61 °C · 325.61°C (rough estimate)
Density: 1.2337 · 1.2337 (rough estimate)
refractive index: 1.54 · 1.5400 (estimate)
storage temp.: Inert atmosphere,Room Temperature
solubility: 5 mg/ml,DMSO: · DMF: 5 mg/ml,DMSO: 30 mg/ml
form: A solid
pka: 7.41 · 7.41±0.20(Predicted)
color: Yellow to green yellow
Henry's Law Constant: 5.4 · 5.4×105 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
InChI: 1S/C14H8O3/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7,15H
InChIKey: GCDBEYOJCZLKMC-UHFFFAOYSA-N
SMILES: Oc1ccc2C(=O)c3ccccc3C(=O)c2c1
EWG's Food Scores: 1 · 1
FDA UNII: 2 R8351U6Q0 · 2R8351U6Q0
EPA Substance Registry System: 9 · 9,10-Anthracenedione, 2-hydroxy- (605-32-3)
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 9 · GHS09
Signal word: Danger
Hazard statements: 411 · H411
Precautionary statements: 261 · P261-P273-P281-P302+P352-P304+P340-P305+P351+P338
Hazard Codes: N
Risk Statements: 36 · 36/37/38-51/53
Safety Statements: 26 · 26-36/37/39-61
RIDADR: 3077 · UN 3077 9 / PGIII
WGK Germany: 3 · WGK 3
RTECS: 7250000 · CB7250000
TSCA: TSCA listed
HazardClass: 9 · 9
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 · Aquatic Chronic 2
Limited Quantities: 5 kg · 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H317 (18.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationChemical: 9,10-Anthracenedione, 2-hydroxy-

Hazard Classes and CategoriesSkin Sens. 1 (18.4%)

Safety data

wgk: WGK 3
tsca: TSCA listed
rtecs: CB7250000
ridadr: UN 3077 9 / PGIII
risk_code: 36/37/38-51/53
Signal word: Danger
Symbol(GHS): GHS09
hazard_code: N
safety_code: 26-36/37/39-61
hazard_class: 9
Storage Class: 11 - Combustible Solids
Hazard statements: H411
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Aquatic Chronic 2
Precautionary statements: P261-P273-P281-P302+P352-P304+P340-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing Information9,10-Anthracenedione, 2-hydroxy-: ACTIVE

Applications

Uses2-Hydroxyanthraquinone, a natural compound, possesses antitumor and immunosuppressive activity[1].

Upstream & downstream products

Upstream raw materials

2-hydroxy-10H-anthracen-9-one 2-carbomethoxy-9,10-anthraquinone hystazarin 9,10-Anthracenedione, 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-2,3-Bis(trimethylsilyloxy)-1,3-butadiene Bianthrone 1-Hydroxy anthraquinone Phenol 3-Hydroxybenzaldehyde 1,4-Dihydroxyanthraquinone Anthraquinone Sodium anthraquinone-2-sulfonate

Downstream products

2-Hydroxyanthracene 1,4-Dihydroxyanthraquinone

Suppliers74 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

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

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

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

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

Additional notes

DefinitionChEBI: 2-hydroxyanthraquinone is a monohydroxyanthraquinone.

Related reactions

9 records

New reaction record

HRID 66548As productuspto-grants-1982_08

HRID 128073As reactantuspto-grants-1981_03

HRID 207252As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 231911As reactantuspto-grants-1989_07

HRID 542398As reactantuspto-grants-1987_04

HRID 653469As reactantuspto-grants-1987_06

HRID 1575818As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1680796As productuspto-grants-1981_06

Compound notes

Loading…

Basic information