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2-메틸-4-나이트로아닐린

2-Methyl-4-nitroaniline

HCID 7441
새 노트새 반응견적 요청하기
인쇄 미리보기
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
99-52-5
표준 SMILES
Cc1cc([N+](=O)[O-])ccc1N
InChIKey
XTTIQGSLJBWVIV-UHFFFAOYSA-N
분자식
C7H8N2O2
평균 분자량
152.15 g/mol
단동위원소 질량
152.0585775

개요

2-methyl-4-nitroaniline appears as yellow needles or mustard yellow powder. (NTP, 1992)

이름 및 식별자

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

이름 및 동의어

2-Methyl-4-nitroaniline99-52-52-Amino-5-nitrotoluene4-Nitro-o-toluidineBenzenamine, 2-methyl-4-nitro-2-Methyl-4-nitrobenzenamine2-Methyl-4-nitrophenylamine4-NITRO-2-TOLUIDINE4-Nitro-o-toludine2-Methyl-p-nitroaniline3-Methyl-4-aminonitrobenzeneCCRIS 2877
이름 더 보기
2-메틸-4-나이트로아닐린2-메틸-4-니트로아닐린FAST REDPNOTredrlbase2-AMino-5-FAST RED RL BASETemloTempraCI 37100
Azoic diazo component 34, baseDTXSID30256292-Amino-1-methyl-5-nitrobenzeneFFY36EWC4RNSC 2075EINECS 202-762-1BRN 0775772AI3-16312

데이터베이스 식별자

CAS
99-52-5
PubChem CID
7441
DTXSID
DTXSID3025629
ChEMBL
CHEMBL1319213
UNII
FFY36EWC4R
EC Number
202-762-1
Nikkaji
J95.088B

물성

구조 계산 물성

XLogP
1.1
극성 표면적
71.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
0
무거운 원자 수
11
형식 전하
0
복잡도
155

실험 및 물리화학적 성질

SpringerMaterials PropertiesDensity
Density1.1586 at 284 °F (NTP, 1992) - Denser than water; will sink
Solubilityless than 1 mg/mL at 72 °F (NTP, 1992)
Melting Point268 to 271 °F (NTP, 1992)
Physical Description2-methyl-4-nitroaniline appears as yellow needles or mustard yellow powder. (NTP, 1992)

물리화학적 성질

녹는점
130 · 130-132 °C(lit.)
끓는 점
294.61 °C · 294.61°C (rough estimate)
밀도
1.1586 · 1.1586
증기압
20.4 hPa · 20.4hPa at 133.5℃
굴절률
1.6276 · 1.6276 (estimate)
인화점
157.2 ℃ · 157.2℃
저장 조건
30 °C · Store below +30°C.
용해도
디클로로메탄, DMSO, 에틸아세테이트, 메탄올에 용해됨
물리적 상태
결정성 분말 또는 가는 바늘
산도 계수 (pKa)

안전 및 규제

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

GHS 분류

GHS Classification · 5건

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, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Not Classified

유해성 정보

Regulatory Information · 3건

Chemical: Benzenamine, 2-methyl-4-nitro-

REACH registered substance: 4-nitro-o-toluidine (EC: 202-762-1)

2-Methyl-4-nitroaniline: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelPoison
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound include irritation of the eyes and skin. Structurally similar chemicals may cause methemoglobinemia.
Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity Profile2-METHYL-4-NITROANILINE is incompatible with acids, acid chlorides, acid anhydrides, chloroformates and strong oxidizing agents. (NTP, 1992)
Air and Water ReactionsInsoluble in water.
Hazard Classes and Categories · 2건

Acute Tox. 3 (100%)

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzenamine, 2-methyl-4-nitro-: ACTIVE
응용 분야 · 2건

용도2-Methyl-4-nitroaniline was used in preparing in-plane aligned nanofibers by the electrospinning technique. It was the starting reagent in the synthesis of 3-chloro-5-methylphenyl isocyanate. It was used to deposit polycrystalline thin films on Ag, Cu and Si by conventional and partially ionized beam deposition.

일반 설명Yellow needles or mustard yellow powder.

제조 방법 · 1건

생산 방법N-Benzenesulfonyl-o-toluidine is dissolved in chlorobenzene at 40 – 50 ℃, and 62 % nitric acid is added gradually to give 5- nitro-N-benzenesulfonyl-o-toluidine, which is isolated and hydrolyzed in sulfuric acid to give 5-nitro-o-toluidine in 80 % yield.

상·하류 제품 정보

상류 원료

아황산나트륨메탄설포닐 클로라이드O-톨루이딘벤젠술포닐클로라이드중탄산나트륨(중조)수산화나트륨

하류 제품

Azoic Diazo Component 34

관련 반응

155건
반응 기록 만들기
HRID 26366 반응식
HRID 26366반응물로uspto-grants-1979_04
HRID 38146 반응식
HRID 38146반응물로uspto-grants-2013_09
HRID 93019 반응식
HRID 93019반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 102895 반응식
HRID 102895반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 133767 반응식
HRID 133767반응물로uspto-grants-2008_06
HRID 161573 반응식
HRID 161573반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 175252 반응식
HRID 175252생성물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 268437 반응식
HRID 268437반응물로uspto-grants-1976_03
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화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
더보기
새 노트새 반응견적 요청하기
0.92 · 0.92±0.10(Predicted)
색상
노란색에서 카키색 또는 갈색
수소이온지수(pH)
7 · 7 (H2O)(aqueous suspension)
수용성
22 · 22&C에서 <0.1g/100mL
BRN
775772 · 775772
InChI
1S/C7H8N2O2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,8H2,1H3
InChIKey
XTTIQGSLJBWVIV-UHFFFAOYSA-N
SMILES
Cc1cc(ccc1N)[N+]([O-])=O
LogP
1.311 at · 1.311 at 25℃
NIST
5 · 5-Nitro-2-aminotoluene(99-52-5)
EPA
2 · 2-Methyl-4-nitroaniline (99-52-5)

화학적 성질

Yellowneedle

Hazardous to the aquatic environment (Acute) - Category 3

안전 및 보호

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. A water spray may also be used. (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.

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)

안전 데이터

wgk
2
tsca
TSCA listed
rtecs
XU8210000
ridadr
UN 2660 (NITROTOLUIDINES (MONO))
HS 번호
29214300
risk_code
23/24/25-33-51/53
hazard_code
T,N,Xi
safety_code
28-36/37-45-61-28A
포장분류
III
위험 등급
6.1
기존화학 물질
KE-24452
위험 참고 사항
Irritant
Hazard Classifications
Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Chronic 2STOT RE 2
스토리지 클래스
6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
4-브로모-2-메틸벤조니트릴
1H-인다졸-5-탄소니트릴
2-Bromo-6-methyl-4-nitroaniline
3,5-디클로로(1H)인다졸
4-Fluoro-N-methylaniline
5-아미노인다졸
2,5-Dinitrobenzoic acid
3-Iodo-5-nitro (1H)indazole
3-클로로-5-니트로-1H-인다졸
3-클로로-1H-인다졸-5-아민
5-나이트로인다졸
5-Bromo-2-chlorotoluene
2-Bromo-5-nitrotoluene
5-브로모-2-클로로-벤조일클로라이드
2-메틸-4-나이트로아니솔
6-나이트로-o-톨루이딘
2,7-Naphthalenedisulfonic acid, 6-amino-4-hydroxy-3-[(2-methyl-4-nitrophenyl)azo]-, disodium salt
Disperse Blue 344