1-Bromo-2-nitrobenzene
기본 정보
- CAS
577-19-5- 표준 SMILES
O=[N+]([O-])c1ccccc1Br- InChIKey
ORPVVAKYSXQCJI-UHFFFAOYSA-N- 분자식
- C6H4BrNO2
- 평균 분자량
- 202.01 g/mol
- 단동위원소 질량
- 200.94254
개요
structure in first source
이름 및 식별자
- 우선 이름
- 1-Bromo-2-nitrobenzene
- IUPAC
- 1-bromo-2-nitrobenzene
- 영어명
- 1-Bromo-2-nitrobenzene
- 분자식
- C6H4BrNO2
- 분자량
- 202.01
이름 및 동의어
1-Bromo-2-nitrobenzene577-19-52-BromonitrobenzeneO-BROMONITROBENZENEo-Nitrobromobenzene2-NitrobromobenzeneBenzene, 1-bromo-2-nitro-NSC-403836QP2NF456XVDTXSID9060364RefChem:855210DTXCID4042252
이름 더 보기
1-BroMo-2-2-Nitrophenyl bromide1-Bromo-2-NitrobeneneBenzene,1-bromo-2-nitro-AURORA KA-1883Sucrose Impurity 10
209-409-02-bromo-1-nitrobenzene1-bromo-2-nitro-benzeneo-Nitrophenyl bromide1-Bromo-2-nitrobenzeMFCD00007045NSC 403836ortho-bromonitrobenzene
데이터베이스 식별자
- CAS
577-19-5- PubChem CID
- 11341
- DTXSID
DTXSID9060364- UNII
- QP2NF456XV
- EC Number
- 209-409-0
- Nikkaji
- J6.565J
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 45.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 134
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Nitros, Aromatic
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP2.5
Vapor Pressure0.00989 [mmHg]
Physical DescriptionLight yellow solid; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- 40 · 40-42 °C (lit.)
- 끓는 점
- 261 °C · 261 °C (lit.)
- 밀도
- 1.7 g/cm3 · 1.7 g/cm3 (20℃)
- 굴절률
- 1.606 · 1.6060 (estimate)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 2 · 2-8°C
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- powder to crystal
- 색상
- Light yellow to Amber to Dark green
- 수용성
- 불용성
- BRN
- 2044109 · 2044109
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (11.5%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, 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 52 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationBenzene, 1-bromo-2-nitro-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and strong eye irritant; May induce methemoglobinemia; Harmful by ingestion, inhalation, and skin absorption; May have cumulative adverse effects to health; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAcute Tox. 3 (11.5%)
독성 정보
Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- CY9040450
- ridadr
- UN 3459 6.1/PG 3
- HS 번호
- 29049085
- risk_code
- 20/21/22-36/37/38-22
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzene, 1-bromo-2-nitro-: ACTIVE
응용 분야
용도1-Bromo-2-nitrobenzene is used in organic synthesis. It also can react with 2-methylamino-benzoic acid to get N-methyl-N-(2-nitro-phenyl)-anthranilic acid. And it is also used in the preparation of 4-methoxy-2-nitrodiphenyl ether, 1-methoxy-3,5-bis-(2-nitro-phenoxy)benzene.
일반 설명1-Bromo-2-nitrobenzene undergoes palladium[0]-mediated Ullmann cross-coupling reaction with a range of β-halo-enals, -enones or -esters to afford the corresponding β-aryl derivatives. Palladium[0]-mediated Ullmann cross-coupling reaction of 1-bromo-2-nitrobenzene with β-bromo-α,β-unsaturated aldehydes is reported.
상·하류 제품 정보
상류 원료
하류 제품
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