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Xanthotoxin

CAT: 0286-X00240-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0286-X00240-01Size:1 g
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CAS Number
298-81-7
Synonyms
8-MOP, 8-Methoxypsoralen, 9-Methoxyfuro[3,2-g][1]benzopyran-7-one, Ammoidin, Methoxsalen; Zanthotoxin
Pictogram
05 - Corrosive; 07 - Irritant; 08 - Health Hazard
UDF Signal Word
Danger
MDL Number
MFCD00005009
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H319 Causes serious eye irritation; H332 Harmful if inhaled; H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled; H351 Suspected of causing cancer; H361 Suspected of damaging fertility or the unborn child; H371 May cause damage to organs; H410 Very toxic to aquatic life with long-lasting effects.
DOT Name
Not D.O.T.-Regulated
Precautions
P260 Do not breathe dust/fume/gas/mist/vapors/spray; P264 Wash skin thoroughly after handling; P280 Wear protective gloves/protective clothing/eye protection/face protection; P285 In case of inadequate ventilation wear respiratory protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting; 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; P308+P313 IF exposed or concerned: Get medical advice/attention; P309+P311 IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

8-Methoxypsoralen

8-Methoxypsoralen with ultraviolet A therapy can cause cancer according to California Labor Code.

CAS Number298-81-7
PubChem CID4114
IUPAC Name9-methoxyfuro[3,2-g]chromen-7-one
Molecular FormulaC12H8O4
Molecular Weight216.19
XLogP1.9
Topological Polar Surface Area48.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity325
SMILES
COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2
InChI
InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3
InChIKey
QXKHYNVANLEOEG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-Methoxypsoralen
CAS: 298-81-7
CID: 4114
Formula: C12H8O4
MW: 216.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight216.19
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass216.04225873
Monoisotopic Mass216.04225873
Topological Polar Surface Area48.7 Ų
Heavy Atom Count16
Formal Charge0
Complexity325
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
AB1130Xanthotoxin
235002-018-Methoxypsoralen (Xanthotoxin), 98-102% (HPLC) USP
MBS6116009-01Methoxsalen (9-Methoxy-7H-furo[3,2-g][1]benzopyran-7-one, 8-Methoxypsoralen, Xanthotoxin, 8-MOP, Meladinine, Oxsoralen)

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