4-Iodoaniline

HCID 10893CAS 540-37-4
부분 구조 검색유사 구조 찾기

기본 정보

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

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

화학적 성질

beige to greyish-brown crystalline powder. soluble in alcohol, ether and chloroform, slightly soluble in water.

안전 및 규제

GHS 분류

GHS Classification · 4건

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 · 2건

Chemical: Benzenamine, 4-iodo-

4-Iodoaniline: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1건

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
HS 번호
29214210
risk_code
22-36/37/38-20/21/22

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 · 1건

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

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]

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