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N-메틸-4-나이트로아닐린

N-Methyl-4-nitroaniline

HCID 7483
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
100-15-2
표준 SMILES
CNc1ccc([N+](=O)[O-])cc1
InChIKey
XIFJZJPMHNUGRA-UHFFFAOYSA-N
분자식
C7H8N2O2
평균 분자량
152.15 g/mol
단동위원소 질량
152.0585775

개요

N-methyl-4-nitroaniline appears as brownish-yellow prisms with violet reflex (from ethanol) or yellow powder. (NTP, 1992)

이름 및 식별자

우선 이름
N-Methyl-4-nitroaniline
IUPAC
N-methyl-4-nitroaniline
현지명
N-메틸-4-나이트로아닐린
영어명
N-Methyl-4-nitroaniline
분자식
C7H8N2O2
분자량
152.15

이름 및 동의어

N-Methyl-4-nitroaniline100-15-2Benzenamine, N-methyl-4-nitro-N-Methyl-p-nitroaniline4-Nitro-N-methylanilineN-Methyl-p-nitranilinep-Nitro-N-methylanilinep-(Methylamino)nitrobenzeneN-Monomethyl-p-nitroanilineAniline, N-methyl-p-nitro-N-METHYL-4-NITROBENZENAMINEmethyl(4-nitrophenyl)amine
이름 더 보기
N-메틸-4-나이트로아닐린NitronanilineMethyl-4-nitroanilineN-methy-4-nitroanlineIntedanib Impurity 10Miglinide intermediate
DTXSID70256354-(Methylamino)nitrobenzeneJ836WLV9BWNSC-5390DTXCID605635RefChem:163712N-methyl-para-nitroaniline202-823-2

데이터베이스 식별자

CAS
100-15-2
PubChem CID
7483
DTXSID
DTXSID7025635
ChEMBL
CHEMBL1329734
UNII

물성

구조 계산 물성

XLogP
2
극성 표면적
57.9 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
1
무거운 원자 수
11
형식 전하
0
복잡도
136

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Nitroanilines
SpringerMaterials PropertiesDensity
LogP1.98
Density1.201 at 311 °F (NTP, 1992) - Denser than water; will sink
Solubilityless than 1 mg/mL at 66 °F (NTP, 1992)
Boiling PointDecomposes (NTP, 1992)
Melting Point306 °F (NTP, 1992)
Vapor Pressure0.00764 [mmHg]
Physical Description · 3건

N-methyl-4-nitroaniline appears as brownish-yellow prisms with violet reflex (from ethanol) or yellow powder. (NTP, 1992)

CBI

Brownish-yellow or yellow solid; [CAMEO] Yellow crystalline powder; [Alfa Aesar MSDS]

물리화학적 성질

녹는점
149 · 149-151 °C(lit.)

안전 및 규제

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

GHS 분류

GHS Classification · 4건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 56 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: Benzenamine, N-methyl-4-nitro-

Benzenamine, N-methyl-4-nitro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenamine, N-methyl-4-nitro- 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)

REACH registered substance: N-methyl-4-nitroaniline (EC: 202-823-2)

DOT LabelPoison
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: This chemical may cause irritation.
Hazards SummaryMay cause irritation; [NTP] May cause irritation; May induce methemoglobinemia; Toxic by ingestion, inhalation, and skin absorption; May have cumulative adverse effects to organs; [Alfa Aesar MSDS] See p-Nitroaniline.
Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity ProfileN-METHYL-4-NITROANILINE has a vigorous exothermic reaction with carbaryl sulfate when heated above 167 °F. (NTP, 1992)

화학 및 산업

용도 및 제조

U.S. Production2023: <50,000 lb
Industry UsesStabilizing agent
General Manufacturing Information · 2건

All Other Chemical Product and Preparation Manufacturing

Benzenamine, N-methyl-4-nitro-: ACTIVE

응용 분야

용도N-Methyl-4-nitroaniline is a versatile reactant used in the synthesis of oxindoles using Pd-catalyzed cyclization of chloroacetanilides.

일반 설명Brownish-yellow prisms with violet reflex (from ethanol) or yellow powder.

상·하류 제품 정보

상류 원료

4'-Nitroacetanilide요오드 메탄

하류 제품

4-(4-Nitrophenyl)azoresorcinol6-NITROQUINOLINE디스페스 오렌지 3disodium 3-[[4-[[4-amino-6(or 7)-sulphonatonaphthyl]azo]phenyl]azo]-6-[(2,4-diaminophenyl)azo]-4-hydroxynaphthalene-2-sulphonate2-아미노-5-니트로페놀2-Amino-5-nitrobenzophenone

관련 반응

61건
반응 기록 만들기
HRID 37835 반응식
HRID 37835반응물로uspto-grants-2013_09
HRID 142669 반응식
HRID 142669반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 194667 반응식
HRID 194667반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 304363 반응식
HRID 304363생성물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 347762 반응식
HRID 347762반응물로uspto-grants-2007_02
HRID 367161 반응식
HRID 367161반응물로uspto-grants-2000_10
HRID 503319 반응식
HRID 503319반응물로uspto-grants-2010_08
HRID 503558 반응식
HRID 503558반응물로uspto-grants-2010_08
1 / 8 페이지

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
J836WLV9BW
EC Number
202-823-2
Nikkaji
J37.757K
끓는 점
294.61 °C · 294.61°C (rough estimate)
밀도
1.201 · 1.2010
증기 밀도
5.25 · 5.25 (vs air)
굴절률
1.6276 · 1.6276 (estimate)
저장 조건
Keep in dark place,Inert atmosphere,Room temperature
용해도
클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태
고체
산도 계수 (pKa)
0.56 · 0.56±0.12(Predicted)
색상
노란색에서 매우 어두운 노란색까지
수용성
19 · 19ºC에서 <0.1g/100mL
BRN
637920 · 637920
안정성
안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다.
InChI
1S/C7H8N2O2/c1-8-6-2-4-7(5-3-6)9(10)11/h2-5,8H,1H3
InChIKey
XIFJZJPMHNUGRA-UHFFFAOYSA-N
SMILES
CNc1ccc(cc1)[N+]([O-])=O
NIST
-4 · Benzenamine, N-methyl-4-nitro-(100-15-2)
EPA
N-Methyl-p-nitroaniline (100-15-2)

화학적 성질

brownish-yellow crystalline powder

Air and Water ReactionsThis chemical may be sensitive to prolonged exposure to air. Insoluble in water.
Hazard Classes and CategoriesAcute Tox. 3 (100%)

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: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone 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.

Isolation and EvacuationExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
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)

독성 정보

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect

안전 데이터

wgk
3
tsca
TSCA listed
ridadr
2811
HS 번호
29214200
risk_code
23/24/25-33-36/37/38
hazard_code
T,Xi
safety_code
28-36/37/39-45-26
포장분류
III
위험 등급
6.1
위험 참고 사항
Highly Toxic/Irritant
Hazard Classifications
Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Chronic 3STOT RE 2
스토리지 클래스
6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
CHROMOTROPE 2B
P-니트로벤질암산
2-브로모-N-메틸-N-(4-니트로페닐)아세트아미드
5-아미노-1-메틸-2-옥소인돌린
N-메틸-2-(4-메틸피페라진-1-일)-N-(4-니트로페닐)아세트아미드

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