4-bromo-N,N-dimethylaniline
기본 정보
- CAS
586-77-6- 표준 SMILES
CN(C)c1ccc(Br)cc1- InChIKey
XYZWMVYYUIMRIZ-UHFFFAOYSA-N- 분자식
- C8H10BrN
- 평균 분자량
- 200.08 g/mol
- 단동위원소 질량
- 198.99966
이름 및 식별자
- 우선 이름
- 4-bromo-N,N-dimethylaniline
- IUPAC
- 4-bromo-N,N-dimethylaniline
- 영어명
- 4-Bromo-N,N-dimethylaniline
- 분자식
- C8H10BrN
- 분자량
- 200.08
이름 및 동의어
4-Bromo-N,N-dimethylaniline586-77-6p-Bromo-N,N-dimethylaniline4-DimethylaminobromobenzeneBenzenamine, 4-bromo-N,N-dimethyl-N,N-Dimethyl-4-bromoanilinep-Dimethylaminobromobenzene1-Bromo-4-(dimethylamino)benzenep-(Dimethylamino)phenyl bromidep-Bromo(dimethylamino)benzeneANILINE, 4-BROMO-N,N-DIMETHYL-p-N,N-Dimethylaminobromobenzene
이름 더 보기
N-diMethylanilinep-Br-DMA4-BroMo-N4-(Dimethylami4-Bromo-N,N-dimethylBROMODIMETHYLANILINEUlipristal Impurity 144-bromo-dimethylanilineN, N-diMethyl-broMoaniline
4-(Dimethylamino)phenyl bromideAniline, p-bromo-N,N-dimethyl-NSC 8056EINECS 209-582-2N,NDimethylpbromoanilinepBromoN,NdimethylanilineN,NDimethyl4bromoanilinepDimethylaminobromobenzene
데이터베이스 식별자
- CAS
586-77-6- PubChem CID
- 11465
- DTXSID
DTXSID2060414- ChEMBL
CHEMBL3098160- UNII
- K49ZS2E9KX
- EC Number
- 209-582-2
- Nikkaji
- J55.361A
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 3.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 95.4
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Amines, Aromatic
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Physical DescriptionOff-white crystalline solid; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- 52 · 52-54 °C (lit.)
- 끓는 점
- 264 °C · 264 °C (lit.)
- 밀도
- 1.322 · 1.3220
- 굴절률
- 1.5748 · 1.5748 (estimate)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 용해도
- 클로로포름, 메탄올에 용해됨
- 물리적 상태
- 결정질 고체
- 산도 계수 (pKa)
- 4.23 · 4.23(at 25℃)
- 색상
- 흰색에서 회색 또는 연한 파란색
- 수용성
- 메탄올에 용해됩니다. 물에 불용성.
- BRN
- 2206155 · 2206155
- 안정성
- 안정적인. 산화제, 산, 금속과 호환되지 않습니다.
- InChI
- 1S/C8H10BrN/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,1-2H3
- InChIKey
- XYZWMVYYUIMRIZ-UHFFFAOYSA-N
- SMILES
- CN(C)c1ccc(Br)cc1
- NIST
- 4 · 4-Bromo-N,N-dimethylaniline(586-77-6)
- EPA
- N,N-Dimethyl-p-bromoaniline (586-77-6)
화학적 성질
white to light grey powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (98.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 64 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
REACH registered substance: 4-bromo-N,N-dimethylaniline (EC: 209-582-2)
Benzenamine, 4-bromo-N,N-dimethyl-: 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 inhalation; Toxic by ingestion and skin absorption; [Alfa Aesar MSDS] See 4-Chloroaniline and 4-Bromoaniline.
Hazard Classes and CategoriesAcute Tox. 4 (98.4%)
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
- BW9300000
- ridadr
- 2811
- HS 번호
- 29214290
- risk_code
- 20/21/22-36/38-33-22
- hazard_code
- Xn,Xi
- safety_code
- 26-36-45-37-28A
- 포장분류
- III
- 위험 등급
- 6.1(b)
- F 고인화성물질
- 8
- 위험 참고 사항
- Irritant
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzenamine, 4-bromo-N,N-dimethyl-: ACTIVE
응용 분야
용도4-Bromo-N,N-dimethylaniline is used as an internal standard in the determination of iodine present as iodide (as in pharmaceuticals), iodate (as in iodized table salt) and covalently bound to organic compounds (as in milk and vegetables).
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하류 제품
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