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N-(4-메틸페닐)아세트아미드

4-Methylacetanilide

HCID 7684
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
103-89-9
표준 SMILES
CC(=O)Nc1ccc(C)cc1
InChIKey
YICAMJWHIUMFDI-UHFFFAOYSA-N
분자식
C9H11NO
평균 분자량
149.19 g/mol
단동위원소 질량
149.08406397

개요

N-acetyl-p-toluidine appears as colorless needles. (NTP, 1992)

이름 및 식별자

우선 이름
4-Methylacetanilide
IUPAC
N-(4-methylphenyl)acetamide
현지명
N-(4-메틸페닐)아세트아미드
영어명
p-Acetotoluidide
분자식
C9H11NO
분자량
149.19

이름 및 동의어

4-MethylacetanilideRefChem:8579664'-Methylacetanilide103-89-9p-AcetotoluidideN-(4-Methylphenyl)acetamideP-AcetotoluideN-ACETYL-P-TOLUIDINEp-Acetotoluidine4-AcetotoluideAcetyl-p-toluidinep-Methylacetanilide
이름 더 보기
N-(4-메틸페닐)아세트아마이드N-(4-메틸페닐)아세트아미드NSC 7644p-TolyacetamideP-TOLYLACETAMIDE
Acetamide, N-(4-methylphenyl)-p-Acetamidotoluene4-(Acetylamino)toluene1-Acetamido-4-methylbenzene4-AcetotoluidideN-Acetyl-p-toluidideN-(p-tolyl)acetamideN-p-tolylacetamide

데이터베이스 식별자

CAS
103-89-9
PubChem CID
7684
DTXSID
DTXSID6024414
ChEMBL
CHEMBL1604472
ChEBI
CHEBI:143108
UNII
N36D4JN82T
EC Number
203-155-4
Nikkaji
J4.024J

물성

구조 계산 물성

XLogP
1.7
극성 표면적
29.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
1
무거운 원자 수
11
형식 전하
0
복잡도
136

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP1.4
Density1.212 at 59 °F (NTP, 1992) - Denser than water; will sink
Solubilityless than 1 mg/mL at 70 °F (NTP, 1992)
Flash Point335 °F (NTP, 1992)
Boiling Point585 °F at 760 mmHg (sublimes) (NTP, 1992)
Melting Point307 °F (NTP, 1992)
Vapor Density5.14 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Physical DescriptionN-acetyl-p-toluidine appears as colorless needles. (NTP, 1992)

물리화학적 성질

녹는점
149 · 149-151 °C(lit.)
끓는 점
307 °C · 307 °C(lit.)
밀도
1.21 · 1.21

안전 및 규제

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

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Acetamide, N-(4-methylphenyl)-

Acetamide, N-(4-methylphenyl)-: Does not have an individual approval but may be used under an appropriate group standard

Fire HazardsThis chemical is combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes. (NTP, 1992)
Reactive GroupAmides and Imides
Reactivity Profile · 1건

N-ACETYL-P-TOLUIDINE is an amide. Flammable gases are formed by the reaction of organic amides with strong reducing agents. Amides are very weak bases (weaker than water). Imides are less basic yet and in fact react with strong bases to form salts. That is, they can react as acids. Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generates mixed oxides of nitrogen (NOx).

Air and Water ReactionsWater insoluble.
Hazard Classes and CategoriesAcute Tox. 4 (100%)

화학 및 산업

약리 정보

Metabolism/Metabolites4'-Methylacetanilide is a known human metabolite of p-Toluidine.

용도 및 제조

General Manufacturing InformationAcetamide, N-(4-methylphenyl)-: ACTIVE
응용 분야 · 3건

개요p-Acetotoluidide is an off-white to brown flake, odourless, solid or crystalline powder (pure form), which is soluble in hot water, alcohol, ether, chloroform, acetone, glycerol, and benzene. It is combustible and undergoes self-ignition (at 5450°C) but is otherwise stable under most conditions. p-Acetanilide on decomposition releases carbon monoxide, oxides of nitrogen, carbon dioxide, and toxic fumes. p-Acetanilide is used as an inhibitor of peroxides and stabiliser for cellulose ester varnishes. It is used as an intermediate for the synthesis of rubber accelerators, dyes and dye intermediate, and camphor. It is also used as a precursor in penicillin synthesis and other pharmaceuticals including painkillers and intermediates. Phenylacetamide structure shows analgesic and antipyretic effects. But acetanilide is not used directly for this application due to causing methemoglobinemia (the presence of excessive methemoglobin which does not function reversibly as an oxygen carrier in the blood).

용도4′-Methylacetanilide was used in the synthesis of stable crystalline phosphorus ylides.

일반 설명Colorless needles.

상·하류 제품 정보

하류 제품

2-Bromo-4-methylaniline4-메틸-2-니트로아닐린2'-브로모-4'-메틸아세타닐리드

관련 반응

4건
반응 기록 만들기
HRID 522459 반응식
HRID 522459생성물로uspto-grants-2016_05
HRID 1459125 반응식
HRID 1459125생성물로uspto-grants-1998_12
HRID 1739618 반응식
HRID 1739618생성물로uspto-grants-1999_10
HRID 1739619 반응식
HRID 1739619반응물로uspto-grants-1999_10

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
증기 밀도
5.14 · 5.14
굴절률
1.5279 · 1.5279 (estimate)
인화점
168 °C · 168 °C
저장 조건
30 °C · Store below +30°C.
용해도
1.2 g/l · 1.2g/l(실험적)
물리적 상태
결정 또는 결정성 분말
산도 계수 (pKa)
15.13 · 15.13±0.70(Predicted)
색상
베이지부터 연한 브라운까지
수용성
1 g/L · 1g/L(25℃)
Merck
14 · 14,74
BRN
607036 · 607036
InChI
1S/C9H11NO/c1-7-3-5-9(6-4-7)10-8(2)11/h3-6H,1-2H3,(H,10,11)
InChIKey
YICAMJWHIUMFDI-UHFFFAOYSA-N
SMILES
CC(=O)Nc1ccc(C)cc1
NIST
Acetamide, N-(4-methylphenyl)-(103-89-9)
EPA
p-Acetotoluidide (103-89-9)
화학적 성질 · 1건

p-Acetotoluidide is an off-white to brown fl ake, odorless, solid or crystalline powder (pure form), soluble in hot water alcohol, ether, chloroform, acetone, glycerol, and benzene. It is combustible and undergoes self-ignition (at 545°C), but is otherwise stable under most conditions. On decomposition, p-acetanilide releases carbon monoxide, oxides of nitrogen, carbon dioxide, and toxic fumes. p-Acetanilide is used as an inhibitor of peroxides and a stabilizer for cellulose ester varnishes. It is used as an intermediate for the synthesis of rubber accelerators, dyes and dye intermediate, and camphor. It is also used as a precursor in penicillin synthesis and other pharmaceuticals, including painkillers and intermediates. Phenylacetamide structure shows analgesic and antipyretic effects. But acetanilide is not used directly for this application because it causes methemoglobinemia (the presence of excessive methemoglobin that does not function reversibly as an oxygen carrier in the blood).

안전 및 보호

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1건

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1건

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
AN2930000
독성
LD50 orl-rat: 2640 mg/kg MarJV# 29MAR77
HS 번호
29242995
risk_code
22-36/37/38
hazard_code
Xn
safety_code
26-36
기존화학 물질
KE-23403
Hazard Classifications
Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스
11 - Combustible Solids
2,6-디브로모-4-메틸아닐린
3,4-디브로모톨루엔
4-Bromo-3-chlorotoluene
3,5-디메틸톨루엔
3,5- 디아 미노 톨루엔
N-(4-메틸페닐)에탄티오아미드

공급사100 곳

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