4-아이오딘아니솔
4-Iodoanisole
기본 정보
- CAS
696-62-8- 표준 SMILES
COc1ccc(I)cc1- InChIKey
SYSZENVIJHPFNL-UHFFFAOYSA-N- 분자식
- C7H7IO
- 평균 분자량
- 234.03 g/mol
- 단동위원소 질량
- 233.95416284
개요
(alpha-D-mannosyl)7-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine, isoform B (protein) is a member of methoxybenzenes.
이름 및 식별자
- 우선 이름
- 4-Iodoanisole
- IUPAC
- 1-iodo-4-methoxybenzene
- 현지명
- 4-아이오딘아니솔
- 영어명
- 4-Iodoanisole
- 분자식
- C7H7IO
- 분자량
- 234.03
이름 및 동의어
4-Iodoanisole696-62-81-Iodo-4-methoxybenzenep-IodoanisoleBenzene, 1-iodo-4-methoxy-IsoformNSC-60727ZN7Y5PP2KWDTXSID7061015RefChem:524236DTXCID8046533211-798-7
이름 더 보기
4-아이오딘아니솔p-iodoanisol4-IODOANISOL4-IODANISOLE4-lodoanisole1-iodo-4-methoxy-benzenCREM-α
4-Methoxyiodobenzenep-MethoxyiodobenzeneAnisole, p-iodo-4-Iodomethoxybenzenep-Iodophenyl methyl ether1-iodo-4-methoxy-BenzeneMFCD00001056Izoform
데이터베이스 식별자
- CAS
696-62-8- PubChem CID
- 69676
- DTXSID
DTXSID7061015- ChEBI
CHEBI:174192- UNII
- ZN7Y5PP2KW
- EC Number
- 211-798-7
- Nikkaji
- J93.739H
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 9.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 77
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Halogenated Anisoles
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physical DescriptionPale yellow powder; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- 50 · 50-53 °C(lit.)
- 끓는 점
- 237 °C726 · 237 °C726 mm Hg(lit.)
- 밀도
- 1.7904 · 1.7904 (estimate)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 용해도
- 에탄올, 에테르, 클로로포름에 용해됩니다.
- 물리적 상태
- 결정성 분말 및 덩어리
- 색상
- 황백색에서 갈색까지
- BRN
- 1906692 · 1906692
- InChI
- 1S/C7H7IO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
- InChIKey
- SYSZENVIJHPFNL-UHFFFAOYSA-N
- SMILES
- COc1ccc(I)cc1
- NIST
- 1 · Benzene, 1-iodo-4-methoxy-(696-62-8)
- EPA
- 1 · Benzene, 1-iodo-4-methoxy- (696-62-8)
화학적 성질
off-white to brown crystalline powder and chunks. Melting point 51-52 ℃, boiling point 237 ℃ (96.8kPa). Soluble in organic solvents such as alcohol and ether, but insoluble in water. Iodine can be easily separated and analyzed by light.
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 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-iodo-4-methoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29093090
- risk_code
- 36/37/38
- hazard_code
- Xi,Xn
- safety_code
- 26-36-24/25
- 기존화학 물질
- KE-05-0753
- F 고인화성물질
- 8
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzene, 1-iodo-4-methoxy-: ACTIVE
응용 분야
용도4-Iodoanisole is used in wide range of medicals industrial applications as well as in human and animal nutrition products, pharmaceutical intermediates, polarizing films for Liquid Crystal Display (LCD) chemicals. Iodine derivatives are also used as organic building blocks, analytical reagents.
제조 방법
4-Iodoanisole is synthesized by the reaction of anisole with iodine chloride. Add anisole to glacial acetic acid, stir and slowly add iodine chloride. After the addition was completed, the temperature was refluxed for 3.5h. Cool, pour into ice water, and precipitate p-iodoanisole. After it was separated, the free iodine was washed with 5% sodium sulfite, then washed with water, distilled under reduced pressure, and the fractions with a boiling point of 140-160 °C (5.33 kPa) were collected and cooled to 0 °C for filtration. Wash with methanol and recrystallize to obtain the finished product.
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