2-Bromo-4-nitroanisole

HCID 78870CAS 5197-28-4

기본 정보

표준 SMILES: COc1ccc([N+](=O)[O-])cc1Br
InChIKey: JMUDXQVNBZCQRF-UHFFFAOYSA-N
분자식: C7H6BrNO3
평균 분자량: 232.03 g/mol
단동위원소 질량: 230.95310515

이름 및 식별자

우선 이름: 2-Bromo-4-nitroanisole
IUPAC: 2-bromo-1-methoxy-4-nitrobenzene
영어명: 2-Bromo-4-nitroanisole
분자식: C7H6BrNO3
분자량: 232.03

이름 및 동의어

2-Bromo-4-nitroanisole2-bromo-1-methoxy-4-nitrobenzeneAnisole, 2-bromo-4-nitro-EINECS 225-983-5JMUDXQVNBZCQRF-UHFFFAOYSA-DTXSID10199934NSC 143545RefChem:466606DTXCID70122425225-983-5InChI=1/C7H6BrNO3/c1-12-7-3-2-5(9(10)11)4-6(7)8/h2-4H,1H35197-28-4

이름 더 보기

2-Bromo-4-nitroanisole >2-BROMO-4-NITROANISOLE 95%1-Methoxy-2-bromo-4-nitrobenzeneBenzene,2-broMo-1-Methoxy-4-nitro-2-Bromo-1-methoxy-4-nitrobenzene, 2-Bromo-4-nitrophenyl methyl ether

BENZENE, 2-BROMO-1-METHOXY-4-NITRO-3-Bromo-4-methoxynitrobenzeneMFCD000412424-Nitro-2-bromanisol2-bromo-1-methoxy-4-nitro-benzeneNSC143545SCHEMBL145997STL366088

데이터베이스 식별자

CAS: 5197-28-4
PubChem CID: 78870
DTXSID: DTXSID10199934
UNII: KX2KFZ7UDV
EC Number: 225-983-5
Nikkaji: J297.932B

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 55.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 171

물리화학적 성질

녹는점: 104 · 104-106 °C (lit.)
끓는 점: 306.3 · 306.3±22.0 °C(Predicted)
밀도: 1.64 · 1.640±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
색상: 흰색에서 갈색으로
BRN: 2556372 · 2556372
InChI: 1S/C7H6BrNO3/c1-12-7-3-2-5(9(10)11)4-6(7)8/h2-4H,1H3
InChIKey: JMUDXQVNBZCQRF-UHFFFAOYSA-N
SMILES: COc1ccc(cc1Br)[N+]([O-])=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301+H311+H331 (14.3%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (85.7%)

안전 데이터

wgk: 3
HS 번호: 2909309090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도2-Bromo-4-nitroanisole is mainly used as an organic synthetic raw material or intermediate compound. It can be used to prepare 3-Bromo-4-methoxyaniline and its derivatives.