Dimethyl-5-Nitroisophthalate

CAT: 0286-D42530-01Size: 25 gDry Ice: NoHazardous: No

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CAS Number

13290-96-5

Pictogram

07 - Irritant

UDF Signal Word

Warning

MDL Number

MFCD00008429

Hazard Statement

H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled.

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 5-nitroisophthalate

CAS Number	13290-96-5
PubChem CID	83316
IUPAC Name	dimethyl 5-nitrobenzene-1,3-dicarboxylate
Molecular Formula	C10H9NO6
Molecular Weight	239.18
XLogP	1.9
Topological Polar Surface Area	98.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	17
Formal Charge	0
Complexity	299

SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C10H9NO6/c1-16-9(12)6-3-7(10(13)17-2)5-8(4-6)11(14)15/h3-5H,1-2H3

InChIKey

GGTSJKFPGKFLCZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13290-96-5

CID: 83316

Formula: C10H9NO6

MW: 239.18

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	239.18
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	239.04298701
Monoisotopic Mass	239.04298701
Topological Polar Surface Area	98.4 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	299
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

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Catalog	Name
TRC-D480553-10G	Dimethyl 5-Nitroisophthalate
447138-01	Dimethyl 2-nitroisophthalate
RG-A262370-01	Dimethyl 4-Nitroisophthalate
35047-01	Dimethyl 5-Nitroisophthalate pure, 99%
TRC-M323770-5G	Methyl 5-Nitroisophthalate
OR1078782-01	Monoethyl 5-Nitroisophthalate
sc-228612	Mono-Methyl 5-nitroisophthalate
31383-81-0	Dimethyl 5,5'-methylenedianthranilate
273349-01	Dimethyl 5-aminoisophthalate
sc-234728	Dimethyl 5-isocyanatoisophthalate

Dimethyl-5-Nitroisophthalate

Chemical Information

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