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이셀레늄화디페닐

Diphenyl diselenide

HCID 15460
새 노트새 반응견적 요청하기
인쇄 미리보기

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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
1666-13-3
표준 SMILES
c1ccc([Se][Se]c2ccccc2)cc1
InChIKey
YWWZCHLUQSHMCL-UHFFFAOYSA-N
분자식
C12H10Se2
평균 분자량
312.1 g/mol
단동위원소 질량
313.91129292

개요

Diphenyl diselenide is an organic molecular entity.

이름 및 식별자

우선 이름
Diphenyl diselenide
IUPAC
(phenyldiselanyl)benzene
현지명
이셀레늄화디페닐
영어명
Diphenyl diselenide
분자식
C12H10Se2
분자량
312.13

이름 및 동의어

Diphenyl diselenide1666-13-3Diselenide, diphenylPhenyl diselenide1,2-Diphenyldiselane(phenyldiselanyl)benzeneDiphenyldiselenideBis(phenylselenide)9ATU3Z459QDTXSID6061864NSC-49763RefChem:134644
이름 더 보기
이셀레늄화디페닐diseLTwo phenyltwo sediphenyl-diseleniddiphenyl disenenideDiselenide,diphenylDiphenyl perselenide
DTXCID3035347216-780-2diphenyldiselaneC12H10Se2MFCD00003001CHEMBL3122204CCRIS 9227EINECS 216-780-2

데이터베이스 식별자

CAS
1666-13-3
PubChem CID
15460
DTXSID
DTXSID6061864
ChEMBL
CHEMBL3122204
ChEBI
CHEBI:232541
UNII
9ATU3Z459Q
EC Number
216-780-2
Nikkaji
J31.930I

물성

구조 계산 물성보충 중

극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
0
회전 가능 결합 수
3
무거운 원자 수
14
형식 전하
0
복잡도
128

물리화학적 성질

녹는점
60 °C · 60 °C
끓는 점
202 °C · 202 °C / 11mmHg
밀도
1.557 · 1.5570
굴절률
1.743 · 1.7430
저장 조건
30 °C · Store below +30°C.
물리적 상태
가루
색상
노란색
Specific Gravity
1.84 · 1.84
수용성
불용성
BRN
2047179 · 2047179
InChI
1S/C12H10Se2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H
InChIKey
YWWZCHLUQSHMCL-UHFFFAOYSA-N
SMILES
[Se]([Se]c1ccccc1)c2ccccc2
NIST
Diselenide, diphenyl(1666-13-3)
EPA
Diselenide, diphenyl (1666-13-3)

화학적 성질

yellow crystalline powder

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Danger

H301 (97.9%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P264, P270, P271, P273, P301+P316, P304+P340, P316, P319, P321, P330, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Diselenide, diphenyl

Diphenyl diselenide: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesAcute Tox. 3 (97.9%)

안전 및 보호

Minimum Risk LevelChronic Oral: 0.005 mg/kg/day (L134)

독성 정보

Health Effects · 1건

Chronic oral exposure to high concentrations of selenium compounds can produce a disease called selenosis. The major signs of selenosis are hair loss, nail brittleness, and neurological abnormalities (such as numbness and other odd sensations in the extremities). Animal studies have shown that selenium may also affect sperm production and the female reproductive cycle. (L619)

Exposure Routes

화학 및 산업

약리 정보

Metabolism/Metabolites · 1건

Selenium may be absorbed through inhalation and ingestion, while some selenium compounds may also be absorbed dermally. Once in the body, selenium is distributed mainly to the liver and kidney. Selenium is an essential micronutrient and is a component of glutathione peroxidase, iodothyronine 5'-deiodinases, and thioredoxin reductase. Organic selenium is first metabolized into inorganic selenium. Inorganic selenium is reduced stepwise to the intermediate hydrogen selenide, which is either incorporated into selenoproteins after being transformed to selenophosphate and selenocysteinyl tRNA or excreted into the urine after being transformed into methylated metabolites of selenide. Elemental selenium is also methylated before excretion. Selenium is primarily eliminated in the urine and feces, but certain selenium compounds may also be exhaled. (L619)

용도 및 제조

UsesDiphenyl diselenide is a useful reagent in organic synthesis. (L623)
General Manufacturing InformationDiselenide, diphenyl: INACTIVE
응용 분야 · 2건

용도Diphenyl diselenide is used in the methoxyselenenylation of alkenes, dihydroxylation of double bonds, hydrothiolation of terminal alkynes. It is used in the synthesis of the unsymmetrical diorganyl selenides, 1-(phenylselenomethyl)vinyl selenides, allylic phenyl selenides.

일반 설명Diphenyl diselenide (Ph2Se2) is an organoselenium compound. Its crystalline structure, toxicokinetic properties, antioxidant and anti-inflammatory activities have been investigated. Its ability to reverse the oxidative brain damage and mitochondrial dysfunction induced by acetaminophen has been studied in mice. It reacts with thallium (Tl) to form TI (SePh). It participates in a four-component radical coupling to form substituted cyclopentanes.

상·하류 제품 정보

관련 반응

13건
반응 기록 만들기
HRID 3901 반응식
HRID 3901반응물로uspto-grants-1988_02
HRID 36040 반응식
HRID 36040반응물로uspto-grants-1995_05
HRID 186939 반응식
HRID 186939반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 256381 반응식
HRID 256381반응물로uspto-grants-1987_10
HRID 728426 반응식
HRID 728426반응물로uspto-grants-1991_09
HRID 846685 반응식
HRID 846685반응물로uspto-grants-1992_08
HRID 846968 반응식
HRID 846968반응물로uspto-grants-1992_08
HRID 870037 반응식
HRID 870037반응물로uspto-grants-2015_03
1 / 2 페이지

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
더보기
새 노트새 반응견적 요청하기
Oral (L619) ; inhalation (L619) ; dermal (L619)
Toxicity Summary · 1건

Selenium readily substitutes for sulfur in biomolecules and in many biochemical reactions, especially when the concentration of selenium is high and the concentration of sulfur is low. Inactivation of the sulfhydryl enzymes necessary for oxidative reactions in cellular respiration, through effects on mitochondrial and microsomal electron transport, might contribute to acute selenium toxicity. Selenomethionine (a common organic selenium compound) also appears to randomly substitute for methionine in protein synthesis. This substitution may affect the structure and functionability of the protein, for example, by altering disulfide bridges. Inorganic forms of selenium appear to react with tissue thiols by redox catalysis, resulting in formation of reactive oxygen species and causing damage by oxidative stress. (L619)

Signs and Symptoms · 1건

Short-term oral exposure to high concentrations of selenium may cause nausea, vomiting, and diarrhea. Brief exposures to high levels of elemental selenium or selenium dioxide in air can result in respiratory tract irritation, bronchitis, difficulty breathing, and stomach pains. Longer-term exposure to either of these air-borne forms can cause respiratory irritation, bronchial spasms, and coughing. (L619)

Carcinogen Classification3, not classifiable as to its carcinogenicity to humans. (L135)

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
JM9152500
ridadr
UN 3283 6.1/PG 2
HS 번호
2931 90 00
risk_code
23/25-33-50/53
hazard_code
T,N
safety_code
20/21-28-45-60-61-28A
포장분류
II
위험 등급
6.1
Hazard Classifications
Acute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1STOT RE 2
스토리지 클래스
6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

상류 원료

셀레늄Grignard reagent브로모벤젠

하류 제품

메틸페닐셀렌화물PhenylselenolBenzene, [(phenylmethyl)seleninyl]-