Benzalphthalide 98%

CAT: 0286-B01060-02Size: 100 gDry Ice: NoHazardous: No

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CAT#:0286-B01060-02Size:100 g

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CAS Number

575-61-1

Pictogram

07 - Irritant

UDF Signal Word

Warning

MDL Number

MFCD00005929

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+P310 IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; 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

Benzylidenephthalide

contaminant of phenindione tablets considered as potentially immunogenic substance

CAS Number	575-61-1
PubChem CID	68464
IUPAC Name	3-benzylidene-2-benzofuran-1-one
Molecular Formula	C15H10O2
Molecular Weight	222.24
XLogP	3.5
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	17
Formal Charge	0
Complexity	326

SMILES

C1=CC=C(C=C1)C=C2C3=CC=CC=C3C(=O)O2

InChI

InChI=1S/C15H10O2/c16-15-13-9-5-4-8-12(13)14(17-15)10-11-6-2-1-3-7-11/h1-10H

InChIKey

YRTPZXMEBGTPLM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 575-61-1

CID: 68464

Formula: C15H10O2

MW: 222.24

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	222.24
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	222.068079557
Monoisotopic Mass	222.068079557
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	326
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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