2,3-Dimethyl-4-nitroanisole

HCID 596465CAS 81029-03-0

기본 정보

표준 SMILES: COc1ccc([N+](=O)[O-])c(C)c1C
InChIKey: DUBFMQLUMHKYOX-UHFFFAOYSA-N
분자식: C9H11NO3
평균 분자량: 181.19 g/mol
단동위원소 질량: 181.07389321

이름 및 식별자

우선 이름: 2,3-Dimethyl-4-nitroanisole
IUPAC: 1-methoxy-2,3-dimethyl-4-nitrobenzene
영어명: 2,3-Dimethyl-4-nitroanisole
분자식: C9H11NO3
분자량: 181.19

이름 및 동의어

2,3-Dimethyl-4-nitroanisole1-Methoxy-2,3-dimethyl-4-nitrobenzene2,3-Dimethyl-p-nitroanisole4-Methoxy-2,3-dimethylnitrobenzeneBenzene, 1-methoxy-2,3-dimethyl-4-nitro-GPU9ZBM6V5EINECS 279-674-54-methoxy-2,3-dimethyl-1-nitrobenzeneDTXSID00230865RefChem:81830DTXCID30153356279-674-5

이름 더 보기

3-Methoxy-6-ni4-Nitro-2,3-dimethylanisole2,3-DiMethy-4-nitrolanisole2,3-Dimethyl-4-nitroanisole>2,3-Dimethyl-4-nitroanisole 95%2,3-Dimethyl-p-nitroanisole,98%

DUBFMQLUMHKYOX-UHFFFAOYSA-N81029-03-03-Methoxy-6-nitro-o-xyleneMFCD000071631-METHOXY-2,3-DIMETHYL-4-NITRO-BENZENEUNII-GPU9ZBM6V5SCHEMBL4466194SCHEMBL31077739

데이터베이스 식별자

CAS: 81029-03-0
PubChem CID: 596465
DTXSID: DTXSID00230865
UNII: GPU9ZBM6V5
EC Number: 279-674-5
Nikkaji: J236.368B

물성

구조 계산 물성

XLogP: 3
극성 표면적: 55.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 190

물리화학적 성질

녹는점: 70 · 70-73 °C(lit.)
끓는 점: 314.29 °C · 314.29°C (rough estimate)
밀도: 1.2375 · 1.2375 (rough estimate)
굴절률: 1.527 · 1.5270 (estimate)
저장 조건: Store at room temperature
InChI: 1S/C9H11NO3/c1-6-7(2)9(13-3)5-4-8(6)10(11)12/h4-5H,1-3H3
InChIKey: DUBFMQLUMHKYOX-UHFFFAOYSA-N
SMILES: COc1ccc(c(C)c1C)[N+]([O-])=O

화학적 성질

light beige-green powder and chunks

안전 및 규제

안전 데이터

wgk: 3
HS 번호: 29093090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
위험 참고 사항: Irritant
스토리지 클래스: 13 - Non Combustible Solids

화학 및 산업

응용 분야

용도2,3-Dimethyl-4-nitroanisole was used:as starting material in the synthesis of conformationally restricted derivatives of lavendustin Ain the synthesis of 1,4-piperazine-2,5-diones