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Dimethyl isophthalate

CAT: 0286-D41690-01Size: 500 gDry Ice: NoHazardous: No
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CAT#:0286-D41690-01Size:500 g
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CAS Number
1459-93-4
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00008433
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.
DOT Name
Not D.O.T.-Regulated
Precautions
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

Dimethyl isophthalate
CAS Number1459-93-4
PubChem CID15088
IUPAC Namedimethyl benzene-1,3-dicarboxylate
Molecular FormulaC10H10O4
Molecular Weight194.18
XLogP2.2
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count14
Formal Charge0
Complexity202
SMILES
COC(=O)C1=CC(=CC=C1)C(=O)OC
InChI
InChI=1S/C10H10O4/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2/h3-6H,1-2H3
InChIKey
VNGOYPQMJFJDLV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dimethyl isophthalate
CAS: 1459-93-4
CID: 15088
Formula: C10H10O4
MW: 194.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight194.18
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass194.05790880
Monoisotopic Mass194.05790880
Topological Polar Surface Area52.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity202
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

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Alternative Products

CatalogName
TYD-00815-01Dimethyl isophthalate
HY-W015028R-01Dimethyl isophthalate (Standard)
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OR1066129-01Dimethyl 4- (bromomethyl) isophthalate
OR88336-01Dimethyl 5- (allyloxy) isophthalate
OR83379-01Dimethyl 5- (hydroxymethyl) isophthalate
OR1012929-01Dimethyl 5- (Bromomethyl) Isophthalate
OR1062460-01Dimethyl 2- (bromomethyl) isophthalate
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