기본 정보
- CAS
147-82-0- 표준 SMILES
Nc1c(Br)cc(Br)cc1Br- InChIKey
GVPODVKBTHCGFU-UHFFFAOYSA-N- 분자식
- C6H4Br3N
- 평균 분자량
- 329.81 g/mol
- 단동위원소 질량
- 326.78938543
개요
structure in first source
이름 및 식별자
- 우선 이름
- 2,4,6-Tribromoaniline
- IUPAC
- 2,4,6-tribromoaniline
- 현지명
- 2,4,6-트리브로모아닐린
- 영어명
- 2,4,6-Tribromoaniline
- 분자식
- C6H4Br3N
- 분자량
- 329.81
이름 및 동의어
2,4,6-TRIBROMOANILINE147-82-02,4,6-Tribromobenzenaminesym-TribromoanilineBenzenamine, 2,4,6-tribromo-Aniline tribromideUSAF DO-430C2N8WIL3BNSC-2216DTXSID5051733RefChem:442866DTXCID1030288
이름 더 보기
2,4,6-트리브로모아닐린2,34,6-트라이브로모아닐린4-Bromo-2-chloro-6-iodoanilineTribromoanisoleNSC 2216usafdo-43AKOS B028948TRIBROMOANILINEAKOS BBS-000035752,4,6-TribromoaniL
205-700-1s-Tribromoaniline2,4,6-TribromophenylamineAniline, 2,4,6-tribromo-2,4,6-TribomoanilineMFCD00007634BR121152628-37-2
데이터베이스 식별자
- CAS
147-82-0、52628-37-2- PubChem CID
- 8986
- DTXSID
DTXSID5051733- UNII
- 0C2N8WIL3B
- EC Number
- 205-700-1
- Nikkaji
- J5.840H
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 26 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 108
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Amines, Aromatic
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Density2.35
Color/FormNEEDLES FROM ALCOHOL, BENZENE
SolubilityINSOL IN WATER; SOL IN ALCOHOL, CHLOROFORM, ETHER
Boiling Point300 °C
DecompositionDISASTER HAZARD: SEE BROMIDES. WHEN STRONGLY HEATED, THEY EMIT HIGHLY TOXIC FUMES. /BROMIDES/
Melting Point120-122 °C
Physical DescriptionSolid; [Merck Index] White powder; [MSDSonline]
물리화학적 성질
- 녹는점
- 120 · 120-122 °C(lit.)
- 끓는 점
- 300 °C · 300 °C(lit.)
- 밀도
- 2.35 · 2.35
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 17.9% (10 of 56) of reports.
Danger
H301 (71.4%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 56 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Benzenamine, 2,4,6-tribromo-
Benzenamine, 2,4,6-tribromo-: 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 SummaryIntraperitoneal LD50 (mouse) = 500 mg/kg; [RTECS] Emergency treatment: Methemoglobinemia; [HSDB] An irritant; May induce methemoglobinemia; [MSDSonline]
Hazard Classes and CategoriesAcute Tox. 3 (71.4%)
독성 정보
Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
TSCA Test Submissions
The mutagenicity of 2,4,6-tribromoaniline was evaluated in Salmonella tester strains TA1535, TA1537, TA1538, TA98 and TA100 (Ames Test), and Saccharomyces cerevisiae strain D4, both in the presence and absence of metabolic activation by Aroclor-induced rat liver S9 fraction. Based on preliminary toxicity determinations, 2,4,6-tribromoaniline, diluted in DMSO, was tested at concentration up to 250ug/plate using the plate incorporation technique. 2,4,6-Tribromoaniline did not cause a positive response in any tester strain with or without metabolic activation.
화학 및 산업
용도 및 제조
Methods of ManufacturingBY CONTROLLED BROMINATION OF ANILINE: SUTHERS ET AL, J ORG CHEM 27, 447 (1962).
General Manufacturing InformationBenzenamine, 2,4,6-tribromo-: ACTIVE
응용 분야
용도2,4,6-Tribromoaniline was used in simultaneous determination of phenolic brominated flame retardants and their by-products in water.
일반 설명Electrochemical oxidation of 2,4,6-tribromoaniline in aqueous sulphuric acid solutions at platinum electrode has been studied by rotating disc electrode and cyclic voltammetry. 2,4,6-Tribromoaniline on closed-tube pyrolysis yields polybromophenazines. It is an intermediate in the formulation of flame retardants incorporated to plastic materials.
제조 방법
2,4,6-Tribromoaniline can be prepared by treating bromine water with aniline in a solution of acetic acid or dilute hydrochloric acid:synthesis-of-2-4-6-tribromoaniline-from-aniline
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