기본 정보
- CAS
578-46-1- 표준 SMILES
Cc1ccc([N+](=O)[O-])c(N)c1- InChIKey
IGDYNWKWXUCIJB-UHFFFAOYSA-N- 분자식
- C7H8N2O2
- 평균 분자량
- 152.15 g/mol
- 단동위원소 질량
- 152.0585775
개요
5-methyl-2-nitroaniline appears as yellow leaflets (from water) or orange powder. (NTP, 1992)
이름 및 식별자
- 우선 이름
- 6-Nitro-m-toluidine
- IUPAC
- 5-methyl-2-nitroaniline
- 영어명
- 5-Methyl-2-nitroaniline
- 분자식
- C7H8N2O2
- 분자량
- 152.15
이름 및 동의어
5-Methyl-2-nitroaniline578-46-13-AMINO-4-NITROTOLUENE6-Nitro-m-toluidineBenzenamine, 5-methyl-2-nitro-m-Toluidine, 6-nitro-Benzenamine, 3-methyl-6-nitro-5-Methyl-o-nitroanilineDTXSID2025634EINECS 209-423-7NSC 28586BRN 2691416
이름 더 보기
6-nitro-m-toluidinLABOTEST-BB LTBB0006303-methyl-6-nitro-benzenamin5-Methyl-2-nitrophenylamine
YY17U389O6NSC-285864-12-00-01861 (Beilstein Handbook Reference)DTXCID2056343-METHYL-6-NITROANILINE2-nitro-5-methylanilineRefChem:5440954-NITRO-3-AMINOTOLUENE
데이터베이스 식별자
- CAS
578-46-1- PubChem CID
- 11356
- DTXSID
DTXSID2025634- ChEMBL
CHEMBL278016- UNII
- YY17U389O6
- EC Number
- 209-423-7
- Nikkaji
- J85.098E
물성
구조 계산 물성
- XLogP
- 2
- 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
Solubilityless than 1 mg/mL at 73 °F (NTP, 1992)
Melting Point234 °F (NTP, 1992)
Physical Description5-methyl-2-nitroaniline appears as yellow leaflets (from water) or orange powder. (NTP, 1992)
물리화학적 성질
- 녹는점
- 110 · 110-111 °C (lit.)
- 끓는 점
- 312.4 · 312.4±22.0 °C(Predicted)
- 밀도
- 1.269 · 1.269±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- 물리적 상태
- powder
- 산도 계수 (pKa)
- 0.03 · 0.03±0.25(Predicted)
- BRN
- 2691416 · 2691416
- InChI
- 1S/C7H8N2O2/c1-5-2-3-7(9(10)11)6(8)4-5/h2-4H,8H2,1H3
- InChIKey
- IGDYNWKWXUCIJB-UHFFFAOYSA-N
- SMILES
- Cc1ccc(c(N)c1)[N+]([O-])=O
- EPA
- 5 · 5-Methyl-2-nitroaniline (578-46-1)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
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 may include irritation. Structurally similar chemicals may cause methemoglobinemia. (NTP, 1992)
Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity Profile5-METHYL-2-NITROANILINE is incompatible with acids, acid chlorides, acid anhydrides, chloroformates, and strong oxidizers (NTP, 1992).
Air and Water ReactionsThis chemical is 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)
화학 및 산업
응용 분야
용도5-Methyl-2-nitroaniline has been used in the preparation of N-(5-methyl-2-nitrophenyl)-4-[N-(pyridin-3-ylmethoxy carbonyl)aminomethyl]benzamide.
일반 설명Yellow leaflets (from water) or orange powder.
상·하류 제품 정보
상류 원료
하류 제품
공급사100 곳
관련 반응
11건
화합물 노트
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