N-(2,4-Dimethylphenyl)-3-oxobutanamide (HCID 222464)

이름 및 식별자

우선 이름: N-(2,4-Dimethylphenyl)-3-oxobutanamide
IUPAC: N-(2,4-dimethylphenyl)-3-oxobutanamide
현지명: 아세토초산 m-자일리다이드
영어명: 2',4'-Dimethylacetoacetanilide
분자식: C12H15NO2
분자량: 205.25

이름 및 동의어

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

이름 더 보기

N-(2,4-다이메틸페닐)-3-옥소부탄아마이드아세토초산m-자일리다이드2',4'-디메틸아세토아세트아닐리드AAMXAcetoacet 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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 46.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 250

실험 및 물리화학적 성질

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

물리화학적 성질

녹는점: 88 · 88-91 °C(lit.)
끓는 점: 343.93 °C · 343.93°C (rough estimate)
밀도: 1.24 · 1.24
증기압: 0 · 0-0.006Pa at 20-50℃
굴절률: 1.516 · 1.5160 (estimate)
인화점: 171 °C · 171 °C
저장 조건: 2 · 2-8°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 11.33 · 11.33±0.46(Predicted)
색상: 흰색에서 황백색까지
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
EPA: Butanamide, N-(2,4-dimethylphenyl)-3-oxo- (97-36-9)

화학적 성질

White to off-white powder

안전 및 규제

GHS 분류

GHS Classification · 6건

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]

유해성 정보

Regulatory Information · 4건

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 · 2건

Acute Tox. 4 (100%)

Acute toxicity (Oral) - Category 4

안전 및 보호

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

First Aid Measures · 4건

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.

독성 정보

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.

안전 데이터

wgk: 1
tsca: TSCA listed
rtecs: AK4585000
독성: LD50 orl-rat: 3000 mg/kg LONZA# 13JUL81
HS 번호: 29242998
risk_code: 22
hazard_code: Xn
safety_code: 24/25
기존화학 물질: KE-11788

화학 및 산업

용도 및 제조

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

Consumer UsesPigment

Industry UsesPigment

General Manufacturing Information · 2건

Synthetic Dye and Pigment Manufacturing

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

응용 분야

용도2',4'-DiMethylacetoacetanilide is used as intermediate for the manufacture of organic pigments.

상·하류 제품 정보

하류 제품

C.I. 염료 황색 81 2-클로로-4,6,8-트리메틸-퀴놀린

공급사50 곳

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]

연결된 노트

불러오는 중…

아세토초산 m-자일리다이드

기본 정보