2',4'-Dimethylacetoacetanilid

N-(2,4-Dimethylphenyl)-3-oxobutanamide

HCID 222464CAS 97-36-9
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Grundinformationen

Standard-SMILES
CC(=O)CC(=O)Nc1ccc(C)cc1C
InChIKey
HGVIAKXYAZRSEG-UHFFFAOYSA-N
Summenformel
C12H15NO2
Durchschnittliche Molmasse
205,25 g/mol
Monoisotopische Masse
205,11027872

Namen und Bezeichner

Bevorzugter Name
N-(2,4-Dimethylphenyl)-3-oxobutanamide
IUPAC
N-(2,4-dimethylphenyl)-3-oxobutanamide
Lokaler Name
2',4'-Dimethylacetoacetanilid
Englischer Name
2',4'-Dimethylacetoacetanilide
Summenformel
C12H15NO2
Molmasse
205.25

Namen und Synonyme

N-(2,4-Dimethylphenyl)-3-oxobutanamide2',4'-DimethylacetoacetanilideAcetoacet-m-xylidideButanamide, N-(2,4-dimethylphenyl)-3-oxo-m-AcetoacetoxylidideDTXSID4040719UNII-84GV04HEUG84GV04HEUGNSC-8398EINECS 202-576-0BRN 2110911DTXCID2020719
Weitere Namen anzeigen
AAMXAcetoacet Meta Xylidide2',4'-ACETOACETOXYLIDIDEACETO ACET M-XYLIDINEM-ACETOACETO-XYLIDIDEacetoaceto-m-xylidideLABOTEST-BB LT01274614ACETOACET-2,4-XYLIDIDEacetoacetyl-m-xylidide
N-(2,4-DIMETHYLPHENYL)ACETOACETAMIDEEC 202-576-0O,P-DIMETHYLACETOACETANILIDE3-12-00-02484 (Beilstein Handbook Reference)RefChem:161515N-Acetoacetyl-2,4-xilidideButanamide, N-(2,4,-dimethylphenyl)-3-oxoHGVIAKXYAZRSEG-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS
97-36-9
PubChem CID
222464
DTXSID
DTXSID4040719
ChEMBL
CHEMBL1877137
UNII
84GV04HEUG
EC Number
202-576-0
Nikkaji
J4.731G

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,9
Polarare Oberfläche (TPSA)
46,2 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
3
Schwere Atome
15

Experimentelle und physikochemische Eigenschaften

LogP1.5 (calculated)
Density1.2 g/cm³
SolubilitySolubility in water, g/100ml at 20 °C: 0.25 (very poor)
Flash Point171 °C
Decomposition155 °C
Melting Point88 °C

Physikochemische Eigenschaften

Schmelzpunkt
88 · 88-91 °C(lit.)
Siedepunkt
343.93 °C · 343.93°C (rough estimate)
Dichte
1.24 · 1.24
Dampfdruck
0 · 0-0.006Pa at 20-50℃
Brechungsindex
1.516 · 1.5160 (estimate)
Flammpunkt
171 °C · 171 °C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 645 reports by companies from 5 notifications to the ECHA C&L Inventory.

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: Butanamide, N-(2,4-dimethylphenyl)-3-oxo-

Butanamide, N-(2,4-dimethylphenyl)-3-oxo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butanamide, N-(2,4-dimethylphenyl)-3-oxo- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 12-10-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/14428

Butanamide, N-(2,4-dimethylphenyl)-3-oxo-: Does not have an individual approval but may be used under an appropriate group standard

Fire HazardsCombustible. Gives off irritating or toxic fumes (or gases) in a fire. Finely dispersed particles form explosive mixtures in air.
Chemical DangersDecomposes on heating and on burning. This produces toxic fumes including nitrogen oxides.
Physical DangersDust explosion possible if in powder or granular form, mixed with air.
Hazard Classes and Categories · 2 Einträge

Acute Tox. 4 (100%)

Acute toxicity (Oral) - Category 4

Sicherheit und Schutzausrüstung

Fire FightingUse water spray, foam, powder, carbon dioxide.
First Aid Measures · 4 Einträge

Fresh air, rest.

Rinse and then wash skin with water and soap.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Refer for medical attention .

Spillage DisposalPersonal protection: particulate filter respirator adapted to the airborne concentration of the substance. Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting.
Eye PreventionWear safety goggles.
Fire PreventionNO open flames. Closed system, dust explosion-proof electrical equipment and lighting. Prevent deposition of dust.
Inhalation RiskNo indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.

Toxikologische Informationen

Exposure RoutesThe substance can be absorbed into the body by ingestion. The substance can be absorbed into the body by ingestion.
Signs and SymptomsRedness. Pain.

Sicherheitsdaten

wgk
1
tsca
TSCA listed
hs_code
29242998
RTECS-Nr.
AK4585000
risk_code
22
Toxizität
LD50 orl-rat: 3000 mg/kg LONZA# 13JUL81

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: 100,000 - <250,000 lb
Consumer UsesPigment
Industry UsesPigment
General Manufacturing Information · 2 Einträge

Synthetic Dye and Pigment Manufacturing

Butanamide, N-(2,4-dimethylphenyl)-3-oxo-: ACTIVE

Anwendungen

Verwenden2',4'-DiMethylacetoacetanilide is used as intermediate for the manufacture of organic pigments.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]

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