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Benzeneacetamide

HCID 7680
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
103-81-1
표준 SMILES
NC(=O)Cc1ccccc1
InChIKey
LSBDFXRDZJMBSC-UHFFFAOYSA-N
분자식
C8H9NO
평균 분자량
135.16 g/mol
단동위원소 질량
135.06841391

개요

2-phenylacetamide is a monocarboxylic acid amide that is acetamide substituted by a phenyl group at position 2. It has a role as a mouse metabolite. It is functionally related to a phenylacetic acid.

이름 및 식별자

우선 이름
Benzeneacetamide
IUPAC
2-phenylacetamide
영어명
2-Phenylacetamide
분자식
C8H9NO
분자량
135.16

이름 및 동의어

2-PHENYLACETAMIDE103-81-1PhenylacetamideBenzeneacetamidealpha-Toluamidealpha-PhenylacetamidePhenylacetic acid amideAcetamide, 2-phenyl-Phenyl-beta-acetylaminealpha-Toluimidic acid5R219M9TJFCHEBI:16562
이름 더 보기
-Toluamideα-ToluamidePhenacetamide2-PheylacetamidePHENYLETHANAMIDE
NSC-1877DTXSID1059282RefChem:555921DTXCID1032771203-147-02-phenyl-AcetamideMFCD00059193.alpha.-Toluamide

데이터베이스 식별자

CAS
103-81-1
PubChem CID
7680
DTXSID
DTXSID1059282
ChEMBL
CHEMBL347645
ChEBI
CHEBI:16562
UNII
5R219M9TJF
EC Number
203-147-0
Nikkaji
J55.331J

물성

구조 계산 물성보충 중

XLogP
0.5
극성 표면적
43.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
2
무거운 원자 수
10
형식 전하
0
복잡도
116

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
SpringerMaterials PropertiesBoiling point
Vapor Pressure0.000344 [mmHg]
Physical Description · 2건

Solid; [Merck Index]

Solid

물리화학적 성질

녹는점
156 °C · 156 °C
끓는 점
280 · 280-290 °C (dec.)
밀도
1.1031 · 1.1031 (rough estimate)
굴절률
1.5589 · 1.5589 (estimate)
저장 조건
Refrigerator
용해도
메탄올에 용해됩니다.
산도 계수 (pKa)
16.21 · 16.21±0.40(Predicted)
물리적 상태
고체
색상
디스크 모양 또는 벗겨지기 쉬운 결정
Merck
14 · 14,7266
InChI
InChI=1S/C8H9NO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Warning

H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazards SummaryAn eye irritant; A possible sensitizer; Harmful by ingestion; [Aldrich MSDS] See 2-Chloro-N-phenylacetamide.
Hazard Classes and CategoriesAcute Tox. 4 (97.7%)

안전 데이터

tsca
TSCA listed
rtecs
AC7705000
독성
LD50 ipr-mus: 430 mg/kg PCJOAU 10,579,76
HS 번호
29242990
risk_code
22-36
hazard_code
Xi
safety_code
22-24/25-60-36-26
위험 등급
IRRITANT

화학 및 산업

용도 및 제조

UsesUsed to make penicillin G; [Merck Index]
General Manufacturing InformationBenzeneacetamide: INACTIVE
응용 분야 · 2건

용도In agriculture, 2-Phenylacetamid can be used in the production of many important intermediates of pesticides, such as carbamine. In the field of dyes: it can react with some monomers with color to produce some important raw materials for blue and purple dyes. In the field of fragrances, it can be used as an important raw material for the synthesis of certain spices and flavors. 2-Phenylacetamide can also be used in the synthesis of organometallic, organic peroxide, organic peroxide ester, and other compounds, and can be used as a crosslinking agent for polymers, a film forming agent for coatings, a plasticizer for plastics, etc.

용도2-Phenylacetamide is used as a pharmaceutical intermediate in the production of penicillin G and phenobarbital, etc. It is also used in organic synthesis.

제조 방법 · 1건

Synthesis of 2-phenylacetamide: Add concentrated hydrochloric acid to phenylacetonitrile, stir to dissolve, and react at 50°C for half an hour. Then slowly add water under cooling to separate out crystals, filter after cooling, wash with ice water to obtain crude product. The crude product was washed with sodium carbonate solution, then washed with ice water, and dried to obtain purer phenylacetamide.

상·하류 제품 정보

상류 원료

Concentrated hydrochloric acidDimethylamineE염화벤질

관련 반응

63건
반응 기록 만들기
HRID 22158 반응식
HRID 22158생성물로uspto-grants-1995_06
HRID 35733 반응식
HRID 35733생성물로uspto-grants-1988_08
HRID 63567 반응식
HRID 63567반응물로uspto-grants-2016_09
HRID 78950 반응식
HRID 78950반응물로uspto-grants-2014_09
HRID 78951 반응식
HRID 78951반응물로uspto-grants-2014_09
HRID 97529 반응식
HRID 97529반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 111916 반응식
HRID 111916반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 207946 반응식
HRID 207946생성물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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InChIKey
LSBDFXRDZJMBSC-UHFFFAOYSA-N
SMILES
C1(CC(N)=O)=CC=CC=C1
NIST
Benzeneacetamide(103-81-1)
EPA
Benzeneacetamide (103-81-1)
화학적 성질 · 1건

2-Phenylacetamide, also known as alpha-toluamide or benzeneacetamide, belongs to the class of organic compounds known as phenylacetamides. These are amide derivatives of phenylacetic acids. Pure crystals are plate shaped and colorless to white. soluble in hot water, ethanol, slightly soluble in cold water, ether and benzene.

AMMONIUM POLYSULFIDE
페닐아세토나이트릴
Activated carbon,decolor
페닐초산

하류 제품

다이파시논(디파시논)에틸A-에톡시옥살릴페닐아세테이트에틸 페닐아세트산페노바르비탈3-OXO-4-페닐-부티르산메틸에스테르테트라페닐 시클로펜타디엔온Indole-3-carboxaldehyde

추가 설명

정의ChEBI: 2-phenylacetamide is a monocarboxylic acid amide that is acetamide substituted by a phenyl group at position 2. It has a role as a mouse metabolite. It derives from a phenylacetic acid.