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Hematein 85%

CAT: 0286-H00510-02Size: 25 gDry Ice: NoHazardous: No
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CAT#:0286-H00510-02Size:25 g
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CAS Number
475-25-2
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00036187
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes 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

Hematein

Hematein is an organic heterotetracyclic compound that is -6a,7-dihydrobenzo[b]indeno[1,2-d]pyran-9-one carrying four hydroxy substituents at positions 3, 4, 6a and 10. It has a role as a histological dye. It is a tertiary alcohol, an enol, a member of phenols, an organic heterotetracyclic compound and a member of quinomethanes.

CAS Number475-25-2
PubChem CID135403802
IUPAC Name4,6a,9,10-tetrahydroxy-6,7-dihydroindeno[2,1-c]chromen-3-one
Molecular FormulaC16H12O6
Molecular Weight300.26
XLogP-0.1
Topological Polar Surface Area107
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Heavy Atom Count22
Formal Charge0
Complexity645
SMILES
C1C2=CC(=C(C=C2C3=C4C=CC(=O)C(=C4OCC31O)O)O)O
InChI
InChI=1S/C16H12O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,18-21H,5-6H2
InChIKey
HNNSUZPWERIYIL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hematein
CAS: 475-25-2
CID: 135403802
Formula: C16H12O6
MW: 300.26
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight300.26
XLogP3-0.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass300.06338810
Monoisotopic Mass300.06338810
Topological Polar Surface Area107 Ų
Heavy Atom Count22
Formal Charge0
Complexity645
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes