CAS 97-36-9 N-(2,4-Dimethylphenyl)-3-oxobutanamide (HCID 222464)

名称と識別子

優先名称: N-(2,4-Dimethylphenyl)-3-oxobutanamide
IUPAC: N-(2,4-dimethylphenyl)-3-oxobutanamide
現地名: 2',4'-ジメチルアセトアセトアニリド
英語名: 2',4'-Dimethylacetoacetanilide
分子式: C12H15NO2
分子量: 205.25

名称と別名

N-(2,4-Dimethylphenyl)-3-oxobutanamide2',4'-DimethylacetoacetanilideAcetoacet-m-xylidideButanamide, N-(2,4-dimethylphenyl)-3-oxo-m-AcetoacetoxylidideDTXSID4040719UNII-84GV04HEUG84GV04HEUGNSC-8398EINECS 202-576-0BRN 2110911DTXCID2020719

名称をさらに表示

2-アセチル-2',4'-ジメチルアセトアニリド2,4-アセトアセトキシリジド2',4'-ジメチルアセトアセトアニリド2',4'-ジメチルアセト酢酸アニリドN-(2,4-ジメチルフェニル)-3-オキソブタンアミド3-オキソ-N-(2,4-ジメチルフェニル)ブタンアミドアセト酢酸mキシリダイド2′,4′-ジメチルアセトアセトアニリドＮ（２，４ジメチルフェニル）３オキソブタンアミド2’，4’-ジメチルアセトアセトアニリド2′,4′‐ジメチルアセトアセトアニリド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

データベース識別子

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

物性

構造計算による物性

XLogP: 1.9
極性表面積: 46.2 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 15
形式電荷: 0
複雑度: 250

実験および物理化学的性質

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

物理化学的性質

融点: 88 · 88-91 °C(lit.)
沸点: 343.93 °C · 343.93°C (rough estimate)
比重(密度): 1.24 · 1.24
蒸気圧: 0 · 0-0.006Pa at 20-50℃
屈折率: 1.516 · 1.5160 (estimate)
闪点: 171 °C · 171 °C
貯蔵温度: 2 · 2-8°C
溶解性: クロロホルム（微量）、メタノール（微量）
外見: 個体
酸解離定数(Pka): 11.33 · 11.33±0.46(Predicted)
色: ホワイトからオフホワイト
InChI: InChI=1S/C12H15NO2/c1-8-4-5-11(9(2)6-8)13-12(15)7-10(3)14/h4-6H,7H2,1-3H3,(H,13,15)
InChIKey: HGVIAKXYAZRSEG-UHFFFAOYSA-N
SMILES: C(NC1=CC=C(C)C=C1C)(=O)CC(=O)C
LogP: 1.4 at · 1.4 at 20℃ and pH6.5-7.5
CAS データベース: 97 · 97-36-9(CAS DataBase Reference)
EPAの化学物質情報: Butanamide, N-(2,4-dimethylphenyl)-3-oxo- (97-36-9)

化学的性質

化学的特性White to off-white powder

安全と法規制

GHS分類

GHS Classification · 6 件

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]

危険有害性情報

Regulatory Information · 4 件

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 件

Acute Tox. 4 (100%)

Acute toxicity (Oral) - Category 4

安全と保護具

Fire FightingUse water spray, foam, powder, carbon dioxide.

First Aid Measures · 4 件

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.

毒性情報

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.

安全データ

wgk: 1
tsca: TSCA listed
rtecs: AK4585000
毒性: LD50 orl-rat: 3000 mg/kg LONZA# 13JUL81
hs_code: 29242998
risk_code: 22
hazard_code: Xn
safety_code: 24/25

化学と産業

用途と製造

U.S. Production2023: 100,000 - <250,000 lb

Consumer UsesPigment

Industry UsesPigment

General Manufacturing Information · 2 件

Synthetic Dye and Pigment Manufacturing

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

応用分野 · 3 件

用途黄色アゾ染料のカップラー、アゾ顔料中間体

用途有機合成原料。

使用2',4'-DiMethylacetoacetanilide is used as intermediate for the manufacture of organic pigments.

上流・下流製品情報

下流製品

2,2'-[(2,2',5,5'-テトラクロロ[1,1'-ビフェニル]-4,4'-ジイル)ビス(アゾ)]ビス[N-(2,4-ジメチルフェニル)-3-オキソブタンアミド]2-CHLORO-4,6,8-TRIMETHYL-QUINOLINE

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化合物ノート

読み込み中…

2',4'-ジメチルアセトアセトアニリド

基本情報