4-Iodoaniline
기본 정보
- CAS
540-37-4- 표준 SMILES
Nc1ccc(I)cc1- InChIKey
VLVCDUSVTXIWGW-UHFFFAOYSA-N- 분자식
- C6H6IN
- 평균 분자량
- 219.02 g/mol
- 단동위원소 질량
- 218.95449719
개요
reagent
이름 및 식별자
- 우선 이름
- 4-Iodoaniline
- IUPAC
- 4-iodoaniline
- 영어명
- 4-Iodoaniline
- 분자식
- C6H6IN
- 분자량
- 219.02
이름 및 동의어
4-IODOANILINE540-37-4p-IodoanilineBenzenamine, 4-iodo-4-Iodobenzenamine0BMK56397BNSC-9246DTXSID9060239RefChem:858089DTXCID5041564208-743-44-iodophenylamine
이름 더 보기
1-amino-4-iodobenzene4-IodoaniL4-LODANILINE4-iodo-anilinp-iodo-anilinp－lodoaniline
Aniline, p-iodo-Aniline, 4-iodo-p-Aminophenyl iodide4-Iodo-phenylamineMFCD000078484-iodobenzeneamine4-iodo-benzenamineCCRIS 9122
데이터베이스 식별자
- CAS
540-37-4- PubChem CID
- 10893
- DTXSID
DTXSID9060239- ChEMBL
CHEMBL41790- UNII
- 0BMK56397B
- EC Number
- 208-743-4
- Nikkaji
- J60.430E
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 26 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 66.9
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Amines, Aromatic
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP2.34
Vapor Pressure0.00767 [mmHg]
Physical DescriptionWhite solid; [Merck Index] Light brown crystalline powder; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- 61 · 61-63 °C(lit.)
- 끓는 점
- 268.7 · 268.7±23.0 °C(Predicted)
- 밀도
- 1.8155 · 1.8155 (estimate)
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 용해도
- 2 O: · H2O: 약간 용해됨
- 물리적 상태
- 결정질 분말 또는 바늘
- 산도 계수 (pKa)
- 3.81 · 3.81(at 25℃)
- 색상
- 베이지~회갈색
- 수용성
- 물에 약간 용해됩니다. 클로로포름, 메탄올에 용해됩니다.
- Merck
- 14 · 14,5027
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, 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 63 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Benzenamine, 4-iodo-
4-Iodoaniline: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes degenerative spinal cord changes, structural changes in peripheral nerve or sheath, dyspnea, cyanosis, and weight loss in acute oral studies of rats; [RTECS] A skin and strong eye irritant; May induce methemoglobinemia; Harmful by inhalation; Toxic by ingestion and skin absorption; [Alfa Aesar MSDS]
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
- BY3850000
- ridadr
- 2811
화학 및 산업
용도 및 제조
UsesA reagent; [ChemIDplus]
General Manufacturing InformationBenzenamine, 4-iodo-: ACTIVE
응용 분야
용도4-Iodoaniline is a iodine substituted aniline that is widely used as chemical intermediates in the manufacturing of pesticides, dyes and drugs. 4-Iodoaniline was shown to be a more potent nephrotoxica nt in vitro than other anilines.
일반 설명4-Iodoaniline is the most potent methaemoglobin former.
제조 방법
4-Iodoaniline is obtained by the reaction of aniline and iodine in the presence of sodium bicarbonate. Add aniline and sodium bicarbonate to water and slowly add crushed iodine in stages with vigorous stirring. If the reaction solution is yellow, add a little sodium bisulfite to make it discolor, then filter and get the crude product. Then the product is recrystallized by ethanol to obtain 4-Iodoaniline.
상·하류 제품 정보
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하류 제품
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