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트리스(4-브로모페닐)아민

Tris(4-bromophenyl)amine

HCID 258027
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
4316-58-9
표준 SMILES
Brc1ccc(N(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1
InChIKey
ZRXVCYGHAUGABY-UHFFFAOYSA-N
분자식
C18H12Br3N
평균 분자량
482 g/mol
단동위원소 질량
478.85198568

개요

Tris(4-bromophenyl)aminium hexachloroantimonate is a chemical compound of antimony. Antimony is a metallic element with the chemical symbol Sb and atomic number 51. Small amounts of antimony are found in the earth's crust. (L741, L808)

이름 및 식별자

우선 이름
Tris(4-bromophenyl)amine
IUPAC
4-bromo-N,N-bis(4-bromophenyl)aniline
현지명
트리스(4-브로모페닐)아민
영어명
Tris(4-bromophenyl)amine
분자식
C18H12Br3N
분자량
482.01

이름 및 동의어

Tris(4-bromophenyl)amine4316-58-9DTXSID101347202TBPA amine cpdRefChem:192101DTXCID901376087628-703-34-Bromo-N,N-bis(4-bromophenyl)anilineTris(p-bromophenyl)aminetris-(4-bromophenyl)aminetri(4-bromophenyl)amineMFCD00009665
이름 더 보기
트리스(4-브로모페닐)아민TBTPATris(4-bromophenyLtri(p-bromophenyl)amineTRIS(4-BROMOPHENYL)AMINIII (4-bromophenyl) amine4,4',4"-Tribromotriphenylamine4,4',4''-Nitrilotris(1-bromobenzene)
Benzenamine, 4-bromo-N,N-bis(4-bromophenyl)-Amine, tris(4-bromophenyl)-p,p',p''-TribromotriphenylamineSY005733Tris(4-bromophenyl)amine (purified by sublimation)C18H12Br3NTriphenylamine, 4,4',4''-tribromo-FT-0635225

데이터베이스 식별자

CAS
4316-58-9
PubChem CID
258027
DTXSID
DTXSID101347202

물성

구조 계산 물성

XLogP
7.2
극성 표면적
3.2 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
3
무거운 원자 수
22
형식 전하
0
복잡도
275

물리화학적 성질

녹는점
141 · 141-143 °C (lit.)
끓는 점
514.9 · 514.9±45.0 °C(Predicted)
밀도
1.79 · 1.790±0.06 g/cm3(Predicted)
인화점
100 °C · 100°C
저장 조건
Sealed in dry,Room Temperature
용해도
톨루엔에 용해됩니다.
산도 계수 (pKa)
-4.91 · -4.91±0.50(Predicted)
물리적 상태
powder to crystal
색상
흰색에서 거의 흰색
안정성
안정적인. 강한 산화제와 호환되지 않습니다.
InChI
InChI=1S/C18H12Br3N/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H
InChIKey
ZRXVCYGHAUGABY-UHFFFAOYSA-N
SMILES
C1(N(C2=CC=C(Br)C=C2)C2=CC=C(Br)C=C2)=CC=C(Br)C=C1

화학적 성질

Tris(4-bromophenyl)amine typically appears as a white crystalline powder at room temperature and pressure. This compound is chemically active and reacts with oxidants and acid mixtures.

안전 및 규제

GHS 분류

GHS Classification · 4건

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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

독성 정보

Treatment · 1건

EYES: irrigate opened eyes for several minutes under running water. INGESTION: do not induce vomiting. Rinse mouth with water (never give anything by mouth to an unconscious person). Seek immediate medical advice. SKIN: should be treated immediately by rinsing the affected parts in cold running water for at least 15 minutes, followed by thorough washing with soap and water. If necessary, the person should shower and change contaminated clothing and shoes, and then must seek medical attention. INHALATION: supply fresh air. If required provide artificial respiration.

Health Effects · 1건

Dermal exposure to antimony can cause antimony spots (papules and pustules around sweat and sebaceous glands). Antimony poisoning can also lead to pneumoconiosis. Alterations in pulmonary function and other effects including chronic bronchitis, chronic emphysema, inactive tuberculosis, pleural adhesions, and irritation can result from inhalation of antimony. Increased blood pressure can also result from antimony poisoning. Myocardial depression, vasodilation and fluid loss may cause shock with hypotension, electrolyte disturbances and acute renal failure. Cerebral oedema, coma, convulsions, and death are possible. (L741)

Exposure Routes

화학 및 산업

약리 정보

Metabolism/Metabolites · 1건

Antimony is widely distributed throughout the body. The hair and skin contain the highest levels of antimony. The adrenal glands, lung, large intestine, trachea, cerebellum, and kidneys also contain relatively high levels of antimony. Blood is the main vehicle for the transport of absorbed antimony to various tissue compartments of the body. Antimony is a metal and, therefore, does not undergo catabolism. Antimony can covalently interact with sulfhydryl groups and phosphate, as well as numerous reversible binding interactions with endogenous ligands (e.g., proteins). It is not known if these interactions are toxicologically significant. Antimony is excreted via the urine and feces. Some of the fecal antimony may represent unabsorbed antimony that is cleared from the lung via mucociliary action into the esophagus to the gastrointestinal tract. (L741)

용도 및 제조

UsesBreathing air, drinking water, and eating foods that contain antimony. Exposure can also occur through dermal or skin contact (L741).
응용 분야 · 2건

개요Tris(4-bromophenyl)amine (TBPA) is a precursor to the oxidising agent Magic Blue. TBPA can be oxidised at relatively accessible electrode potentials, and its radical cation acts as a relatively mild single-electron oxidising agent, allowing for better control of the reaction rate. TBPA is commonly used in photochemical and electrochemical ESR studies.

용도Tris(4-bromophenyl)amine was used in the synthesis of porous luminescent covalent--organic polymers (COPs)

상·하류 제품 정보

상류 원료

3,6-에타노-3,4,5,6-테트라히드로피리다진N4,N4,N4',N4'-tetrakis(4-bromophenyl)-[1,1'-biphenyl]-4,4'-diamine

관련 반응

7건
반응 기록 만들기
HRID 14352 반응식
HRID 14352반응물로uspto-grants-2010_06
HRID 321706 반응식
HRID 321706반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 900544 반응식
HRID 900544반응물로uspto-grants-2008_04
HRID 1058648 반응식
HRID 1058648반응물로uspto-grants-2003_02
HRID 1441990 반응식
HRID 1441990반응물로uspto-grants-2010_02
HRID 1840694 반응식
HRID 1840694반응물로uspto-grants-2004_01
HRID 1845979 반응식
HRID 1845979반응물로uspto-grants-2015_02

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
EC Number
628-703-3
Nikkaji
J149.788J
Inhalation (L741) ; oral (L741) ; dermal (L741)
Toxicity Summary · 1건

The inhalation data suggests that the myocardium is a target of antimony toxicity. It is possible that antimony affects circulating glucose by interfering with enzymes of the glycogenolysis and gluconeogenesis pathways. The mechanism of action of antimony remains unclear. However, some studies suggest that antimony combines with sulfhydryl groups including those in several enzymes important for tissue respiration. The antidotal action of BAL depends on its ability to prevent or break the union between antimony and vital enzymes. Moreover, the The cause of death is believed to be essentially the same as that in acute arsenic poisoning. (T18, L741, A238)

Signs and Symptoms · 1건

Abdominal pain, vomiting, diarrhea can result from inhalation of antimony. Dyspnea, headache, vomiting,cough, conjunctivitis, and bloody purulent discharge from nose can result from inhalation exposure. Skin or eye contact can cause pain and redness of the exposed surface. (T64, L741)

Carcinogen ClassificationNo indication of carcinogenicity (not listed by IARC). (L135)

안전 데이터

wgk
3
HS 번호
29214990
risk_code
36/37/38
hazard_code
Xi
safety_code
26-37/39
Hazard Classifications
Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스
11 - Combustible Solids
4-Bromotriphenylamine
3,6-디브로모-9-(4-브로모-페닐)-9H-카바졸
트리페닐아민

하류 제품

Benzenamine, 4-methoxy-N,N-bis(4-methoxyphenyl)-N-(4-BroMophenyl)-N,N-bis(1,1'-biphenyl-4-yl)aMine4-(1-피레닐)-N,N-비스[4-(1-피레닐)페닐]벤젠아민

공급사100 곳

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