Meptyldinocap, min.98% (HPLC)

Name: Meptyldinocap
Brand: Chempure

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CAS Number

131-72-6

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IUPAC name	(2,4-dinitro-6-octan-2-ylphenyl) (E)-but-2-enoate
inchi	InChI=1S/C18H24N2O6/c1-4-6-7-8-10-13(3)15-11-14(19(22)23)12-16(20(24)25)18(15)26-17(21)9-5-2/h5,9,11-13H,4,6-8,10H2,1-3H3/b9-5+
inchi key	NIOPZPCMRQGZCE-WEVVVXLNSA-N
molecular formula	C18H24N2O6
synonyms	Meptyldinocap 131-72-6 Meptyldinocap [ISO] (2,4-dinitro-6-octan-2-ylphenyl) (E)-but-2-enoate OQU8KLU91P
Compound Description	Dinocap can cause developmental toxicity according to state or federal government labeling requirements. 2,4-dinitro-6-phenyl -but-2-enoate is an enoate ester obtained by formal condensation of the carboxy group of 3-methylacrylic acid with the phenolic hydroxy group of 2,4-dinitro-6-phenol. It is a C-nitro compound and an enoate ester.

Computed Properties

Molecular Weight:	364.4 g/mol
XLogP3:	6
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	6
Rotatable Bond Count:	9
Exact Mass:	364.16343649 Da
Monoisotopic Mass:	364.16343649 Da
Topological Polar Surface Area:	118 Å²
Heavy Atom Count:	26
Formal Charge:	0
Complexity:	511
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Danger
hazard classes and categories	Flam. Liq. 3 (59.1%) Acute Tox. 4 (40.9%) Skin Irrit. 2 (40.9%) Skin Sens. 1 (100%) Acute Tox. 4 (100%) Repr. 1B (40.9%) STOT RE 2 (40.9%) Aquatic Acute 1 (100%) Aquatic Chronic 1 (100%) Acute toxicity (Oral) - Category 4 Acute toxicity (Inhalation: Vapours) - Category 1 Skin corrosion/irritation - Category 2 Skin sensitization - Category 1 Reproductive toxicity - Category 1B Specific target organ toxicity - Repeated exposure - Category 1 (liver), Category 2 (kidney) Flammable liquids - Category 3 Serious eye damage/eye irritation - Category 2
precautionary statement codes	P203, P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P272, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P318, P319, P321, P330, P332+P317, P333+P317, P362+P364, P370+P378, P391, P403+P235, P405, and P501
hazard statements	H226 (59.1%): Flammable liquid and vapor [Warning Flammable liquids] H302+H332 (40.9%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation] H302 (40.9%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (40.9%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] H360 (40.9%): May damage fertility or the unborn child [Danger Reproductive toxicity] H373 (40.9%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	(2,4-dinitro-6-octan-2-ylphenyl) (E)-but-2-enoate
inchi	InChI=1S/C18H24N2O6/c1-4-6-7-8-10-13(3)15-11-14(19(22)23)12-16(20(24)25)18(15)26-17(21)9-5-2/h5,9,11-13H,4,6-8,10H2,1-3H3/b9-5+
inchi key	NIOPZPCMRQGZCE-WEVVVXLNSA-N
molecular formula	C18H24N2O6
synonyms	Meptyldinocap 131-72-6 Meptyldinocap [ISO] (2,4-dinitro-6-octan-2-ylphenyl) (E)-but-2-enoate OQU8KLU91P
Compound Description	Dinocap can cause developmental toxicity according to state or federal government labeling requirements. 2,4-dinitro-6-phenyl -but-2-enoate is an enoate ester obtained by formal condensation of the carboxy group of 3-methylacrylic acid with the phenolic hydroxy group of 2,4-dinitro-6-phenol. It is a C-nitro compound and an enoate ester.

Computed Properties

Molecular Weight:	364.4 g/mol
XLogP3:	6
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	6
Rotatable Bond Count:	9
Exact Mass:	364.16343649 Da
Monoisotopic Mass:	364.16343649 Da
Topological Polar Surface Area:	118 Å²
Heavy Atom Count:	26
Formal Charge:	0
Complexity:	511
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Danger
hazard classes and categories	Flam. Liq. 3 (59.1%) Acute Tox. 4 (40.9%) Skin Irrit. 2 (40.9%) Skin Sens. 1 (100%) Acute Tox. 4 (100%) Repr. 1B (40.9%) STOT RE 2 (40.9%) Aquatic Acute 1 (100%) Aquatic Chronic 1 (100%) Acute toxicity (Oral) - Category 4 Acute toxicity (Inhalation: Vapours) - Category 1 Skin corrosion/irritation - Category 2 Skin sensitization - Category 1 Reproductive toxicity - Category 1B Specific target organ toxicity - Repeated exposure - Category 1 (liver), Category 2 (kidney) Flammable liquids - Category 3 Serious eye damage/eye irritation - Category 2
precautionary statement codes	P203, P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P272, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P318, P319, P321, P330, P332+P317, P333+P317, P362+P364, P370+P378, P391, P403+P235, P405, and P501
hazard statements	H226 (59.1%): Flammable liquid and vapor [Warning Flammable liquids] H302+H332 (40.9%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation] H302 (40.9%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (40.9%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] H360 (40.9%): May damage fertility or the unborn child [Danger Reproductive toxicity] H373 (40.9%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

Product No: DT8708

Meptyldinocap, min.98% (HPLC)

Product No: DT8708

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

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Reviews

Product No: DT8708

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?