Benzenamine, N-methyl-2-nitro- (HCID 69157)

이름 및 식별자

우선 이름: Benzenamine, N-methyl-2-nitro-
IUPAC: N-methyl-2-nitroaniline
영어명: N-Methyl-2-nitroaniline
분자식: C7H8N2O2
분자량: 152.15

이름 및 동의어

N-Methyl-2-nitroaniline612-28-2N-Methyl-o-nitroanilineBenzenamine, N-methyl-2-nitro-o-Nitro-N-methylaniline2-Nitro-N-methylanilineo-(Methylamino)nitrobenzeneAniline, N-methyl-o-nitro-N-Methyl-2-nitrobenzenamineEINECS 210-303-1NSC 86672BRN 2209110

이름 더 보기

Telmisartan Impurity V1-METHYL-2-NITROANILINEn-methyl-o-nitro-anilinTelmisartan Impurity 14o-Nitro-N-methyl aniline2-METHYLAMINONITROBENZENE

DTXSID4060608RefChem:561997DTXCID2042981210-303-1InChI=1/C7H8N2O2/c1-8-6-4-2-3-5-7(6)9(10)11/h2-5,8H,1HN-Methyl 2-nitroanilinemethyl(2-nitrophenyl)amineMFCD00007090

데이터베이스 식별자

CAS: 612-28-2
PubChem CID: 69157
DTXSID: DTXSID4060608
UNII: DT8RVN6PBT
EC Number: 210-303-1
Nikkaji: J95.688K

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 57.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 144

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

LogP2.18

물리화학적 성질

녹는점: 35 · 35-38 °C (lit.)
끓는 점: 294.61 °C · 294.61°C (rough estimate)
밀도: 1.2333 · 1.2333 (estimate)
굴절률: 1.6276 · 1.6276 (estimate)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 저융점 고체
산도 계수 (pKa): -0.49 · -0.49±0.25(Predicted)
색상: 주황색에서 빨간색으로
InChI: 1S/C7H8N2O2/c1-8-6-4-2-3-5-7(6)9(10)11/h2-5,8H,1H3
InChIKey: KFBOUJZFFJDYTA-UHFFFAOYSA-N
SMILES: CNc1ccccc1[N+]([O-])=O
LogP: 0.972 · 0.972
EPA: -2 · Benzenamine, N-methyl-2-nitro- (612-28-2)

화학적 성질

Redish Powder

안전 및 규제

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

Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 05-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30005

Hazard Classes and CategoriesAcute Tox. 3 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: BY5710000
ridadr: 2811
risk_code: 23/24/25-33
hazard_code: T,Xi
safety_code: 36/37-45
포장분류: II
위험 등급: 6.1
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralSTOT RE 2
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzenamine, N-methyl-2-nitro-: ACTIVE

응용 분야 · 2건

용도N-Methyl-2-nitroaniline was used in the determination of the polarities of ionic liquids using the Kamlet-Taft empirical polarity scales. It was also employed in characterization of the octadecyl-derivatized silica stationary phase and the corresponding mobile phases used in reversed-phase liquid chromatography.

일반 설명N-Methyl-2-nitroaniline is a solvatochromic dye.