Anthrarobin

CAT: 0286-A34270Size: 1 gDry Ice: NoHazardous: No

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CAS Number

577-33-3

Synonyms

Desoxyalizarin; 1,2,10-Anthracenetriol; 3,4-Dihydroxy-9-anthranol

Pictogram

07 - Irritant

UDF Signal Word

Warning

MDL Number

MFCD00001251

Hazard Statement

H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.

DOT Name

Not D.O.T.-Regulated

Precautions

P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Anthrarobin

Anthrarobin is an anthracenetriol having the three hydroxy substituents at the 1-, 2- and 10-positions. It has a role as an allergen.

CAS Number	577-33-3
PubChem CID	11342
IUPAC Name	anthracene-1,2,10-triol
Molecular Formula	C14H10O3
Molecular Weight	226.23
XLogP	3.4
Topological Polar Surface Area	60.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	17
Formal Charge	0
Complexity	281

SMILES

C1=CC=C2C(=C1)C=C3C(=C2O)C=CC(=C3O)O

InChI

InChI=1S/C14H10O3/c15-12-6-5-10-11(14(12)17)7-8-3-1-2-4-9(8)13(10)16/h1-7,15-17H

InChIKey

TZIQWQARHPGHIG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 577-33-3

CID: 11342

Formula: C14H10O3

MW: 226.23

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	226.23
XLogP3	3.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	226.062994177
Monoisotopic Mass	226.062994177
Topological Polar Surface Area	60.7 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	281
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
T25093-01	Anthrarobin

Anthrarobin

Chemical Information

Alternative Products

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