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3'-아미노아세트아닐리드

m-Aminoacetanilide

HCID 7604
새 노트새 반응견적 요청하기
인쇄 미리보기
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
102-28-3
표준 SMILES
CC(=O)Nc1cccc(N)c1
InChIKey
PEMGGJDINLGTON-UHFFFAOYSA-N
분자식
C8H10N2O
평균 분자량
150.18 g/mol
단동위원소 질량
150.07931295

개요

M-aminoacetanilide is a gray solid. (NTP, 1992)

이름 및 식별자

우선 이름
m-Aminoacetanilide
IUPAC
N-(3-aminophenyl)acetamide
현지명
3'-아미노아세트아닐리드
영어명
N1-(3-Aminophenyl)acetamide
분자식
C8H10N2O
분자량
150.18

이름 및 동의어

N-(3-Aminophenyl)acetamide102-28-33'-AminoacetanilideM-AMINOACETANILIDE3-AcetamidoanilineAcetamide, N-(3-aminophenyl)-M-Acetaminoanilinem-(Acetylamino)anilineN-Acetyl-m-phenylenediamine3-Amino-N-acetylaniline3-Aminoacetanilid3-Acetylaminoaniline
이름 더 보기
3'-아미노아세트아닐리드N-(3-아미노페닐)아세타마이드N-아세틸-m-페닐엔다이아민META AMINO ACETANILIDE3-AMINOACETANILIDEFR-2203AKOS BB-8162WLN: ZR CMV13-AcetamidoaniLASISCHEM B52481
Acetanilide, 3'-amino-1-Amino-3-(acetylamino)benzene3-Aminoacetanilid [Czech]3-(Acetylamino)anilinem-AcetamidoanilineN-Acetyl-m-fenylendiaminCCRIS 4574NSC 165576

데이터베이스 식별자

CAS
102-28-3
PubChem CID
7604
DTXSID
DTXSID2024454
ChEMBL
CHEMBL1606123
UNII
Q5K7HYS7JJ
EC Number
203-021-5
Nikkaji
J43.351I

물성

구조 계산 물성

XLogP
0.9
극성 표면적
55.1 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
2
회전 가능 결합 수
1
무거운 원자 수
11
형식 전하
0
복잡도
147

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Solubility10 to 50 mg/mL at 75 °F (NTP, 1992)
Boiling PointDecomposes at 1449 °F (NTP, 1992)
Melting Point187.7 to 189.5 °F (NTP, 1992)
Physical Description · 2건

M-aminoacetanilide is a gray solid. (NTP, 1992)

Gray solid; [CAMEO] Light brown crystalline powder; [Acros Organics MSDS]

물리화학적 성질

녹는점
86 · 86-88 °C(lit.)
끓는 점
271.72 °C · 271.72°C (rough estimate)
밀도
1.1392 · 1.1392 (rough estimate)
굴절률
1.618 · 1.6180 (estimate)
저장 조건
Keep in dark place,Inert atmosphere,Room temperature
물리적 상태
powder to crystal
산도 계수 (pKa)

안전 및 규제

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

GHS 분류

GHS Classification · 4건

Warning

H302 (21.1%): 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 57 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationREACH registered substance: 3'-aminoacetanilide (EC: 203-021-5)
Fire HazardsFlash point data concerning this compound are not available, however, it is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes. (NTP, 1992)
Hazards SummaryA mild eye irritant; [RTECS] An irritant; [Acros Organics MSDS] See Acetanilide.
Reactive GroupAmides and Imides
Reactivity Profile · 1건

Aromatic amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.

Air and Water ReactionsSoluble in water.

화학 및 산업

용도 및 제조

UsesUsed in organic synthesis; [NTP]
General Manufacturing InformationAcetamide, N-(3-aminophenyl)-: ACTIVE

응용 분야

용도3'-Aminoacetanilide is mainly used as reaction intermediates dyes and disperse dyes.

일반 설명Gray solid.

상·하류 제품 정보

상류 원료

황화 칼슘M-페닐렌다이아민아세트산(빙초산)M-나이트로아닐린에타논,1-(3-아미노페닐)-,옥심(9CI)3'-Nitroacetanilide3'-아미노아세트아닐리드염화물O-페닐렌디아민 디수화염화물1,4-벤젠다이아민초산에틸아세트산 나트륨3'-클로로아세타닐리드

관련 반응

105건
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HRID 673 반응식
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HRID 24808 반응식
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HRID 75653 반응식
HRID 75653반응물로uspto-grants-2014_09
HRID 75662 반응식
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HRID 75676 반응식
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HRID 76987 반응식
HRID 76987반응물로uspto-grants-2014_09
HRID 90176 반응식
HRID 90176반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 93152 반응식
HRID 93152반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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화합물 노트

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이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
더보기
새 노트새 반응견적 요청하기
14.82 · 14.82±0.70(Predicted)
색상
흰색에서 회색, 갈색까지
수용성
24 · 24&C에서 1~5g/100mL
InChI
InChI=1S/C8H10N2O/c1-6(11)10-8-4-2-3-7(9)5-8/h2-5H,9H2,1H3,(H,10,11)
InChIKey
PEMGGJDINLGTON-UHFFFAOYSA-N
SMILES
C(NC1=CC=CC(N)=C1)(=O)C
EPA
3 · 3'-Aminoacetanilide (102-28-3)

화학적 성질

light brown crystalline powder

Hazard Classes and Categories
Acute Tox. 4 (21.1%)

안전 및 보호

Fire FightingFires involving this compound can be controlled using 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: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces 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
AD8050000
독성
mouse,LD50,intravenous,320mg/kg (320mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02899,
HS 번호
29214200
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36-37/39
위험 등급
IRRITANT
기존화학 물질
KE-01532
Hazard Classifications
Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스
11 - Combustible Solids
4'-Nitroacetanilide
무수초산

하류 제품

애시드블루BGLReactive Golden Yellow KM-Gtrisodium 7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalene-1,3,5-trisulphonateReactive Yellow 3Reactive Yellow KE-RN3,6-디아미노-9(10)-아크리돈3-ACETAMIDOPHENOL아닐린C.I. Acid Red 23, disodium salt2,7-Naphthalenedisulfonic acid, 3-[(4-aminophenyl)azo]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]amino]-, disodium salt