기본 정보
- 표준 SMILES
O=[N+]([O-])c1ccc(Br)cc1- InChIKey
ZDFBKZUDCQQKAC-UHFFFAOYSA-N- 분자식
- C6H4BrNO2
- 평균 분자량
- 202.01 g/mol
- 단동위원소 질량
- 200.94254047
개요
structure in first source
이름 및 식별자
- 우선 이름
- 1-Bromo-4-nitrobenzene
- IUPAC
- 1-bromo-4-nitrobenzene
- 영어명
- 1-Bromo-4-nitrobenzene
- 분자식
- C6H4BrNO2
- 분자량
- 202.01
이름 및 동의어
1-Bromo-4-nitrobenzene586-78-74-Bromonitrobenzene4-NitrobromobenzeneP-BROMONITROBENZENEBenzene, 1-bromo-4-nitro-p-Nitrobromobenzene4-Nitrophenyl bromidep-Nitrophenyl bromideAI3-15384NSC-3526W2D6WLV889
이름 더 보기
nitrobromobenzene4-Nitro-1-bromobenzene1-BroMo-4-nitrobenzene, 99% 25GR1-Brom-4-nitrobenzol4-nitrophenylbromide
DTXSID7060415RefChem:430669DTXCID6042442209-583-84-bromo-1-nitrobenzene1-bromo-4-nitro-benzeneMFCD000072804-Nitro-bromobenzene
데이터베이스 식별자
- CAS
586-78-7- PubChem CID
- 11466
- DTXSID
DTXSID7060415- UNII
- W2D6WLV889
- EC Number
- 209-583-8
- Nikkaji
- J29.536A
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
- 126
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Nitros, Aromatic
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP2.6
Vapor Pressure0.00989 [mmHg]
Physical DescriptionCream colored or brown powder; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- 124 · 124-126 °C(lit.)
- 끓는 점
- 255 · 255-256 °C(lit.)
- 밀도
- 1 · 1,95 g/cm3
- 굴절률
- 1.606 · 1.6060 (estimate)
- 인화점
- 254 · 254-256°C
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 클로로포름에 용해됨
- 물리적 상태
- 결정성 분말
- 색상
- 연노랑
- 수용성
- 불용성
- BRN
- 636964 · 636964
- Henry's Law Constant
- 2.2 · 2.2×10-1 mol/(m3Pa) at 25℃, Li et al. (2014)
- InChI
- 1S/C6H4BrNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H
- InChIKey
- ZDFBKZUDCQQKAC-UHFFFAOYSA-N
- SMILES
- [O-][N+](=O)c1ccc(Br)cc1
- NIST
- 1 · Benzene, 1-bromo-4-nitro-(586-78-7)
- EPA
- 1 · Benzene, 1-bromo-4-nitro- (586-78-7)
화학적 성질
light yellow powder
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (97.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationBenzene, 1-bromo-4-nitro-: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Nitrobromobenzenes: May cause skin, eye, and mucous membrane irritation; Toxic by ingestion, inhalation, and skin absorption; [CAMEO] A skin and strong eye irritant; May induce methemoglobinemia; Harmful by ingestion, inhalation, and skin absorption; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (97.9%)
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
- CY9040550
- ridadr
- UN 3459 6.1/PG III (NITROBROMOBENZENES, SOLID)
- HS 번호
- 29049085
- risk_code
- 22-36/37/38-20/21/22-62-51/53-46-45
- hazard_code
- Xn,Xi
- safety_code
- 36/37/39-26-22-61-53-45
- 포장분류
- III
- 위험 등급
- 6.1
- Hazard Classifications
- Acute Tox. 4 Oral
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
용도 및 제조
UsesNitrobromobenzenes are used to make other chemicals; [CAMEO]
General Manufacturing InformationBenzene, 1-bromo-4-nitro-: ACTIVE
응용 분야
용도It can be employed as a syntheses material intermediate. It is also used as a pharmaceutical intermediate.
상·하류 제품 정보
상류 원료
하류 제품
공급사34 곳
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
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武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
杭州鼎燕化工有限公司13588754826 13588754826 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
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