基本情報
- CAS
147-82-0- 標準SMILES
Nc1c(Br)cc(Br)cc1Br- InChIKey
GVPODVKBTHCGFU-UHFFFAOYSA-N- 分子式
- C6H4Br3N
- 平均分子量
- 329.81 g/mol
- 単同位体質量
- 326.78938543
概要
structure in first source
名称と識別子
- 優先名称
- 2,4,6-Tribromoaniline
- IUPAC
- 2,4,6-tribromoaniline
- 現地名
- 2,4,6-トリブロモアニリン
- 英語名
- 2,4,6-Tribromoaniline
- 分子式
- C6H4Br3N
- 分子量
- 329.81
名称と別名
2,4,6-TRIBROMOANILINE147-82-02,4,6-Tribromobenzenaminesym-TribromoanilineBenzenamine, 2,4,6-tribromo-Aniline tribromideUSAF DO-430C2N8WIL3BNSC-2216DTXSID5051733RefChem:442866DTXCID1030288
名称をさらに表示
2,4,6-トリブロモアニリンアニリントリブロミド2，4，6トリブロモアニリン２，４，６－トリブロムアニリン2,4,6-トリブロモアニリン, 98%4-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
データベース識別子
- CAS
147-82-0、52628-37-2- PubChem CID
- 8986
- DTXSID
DTXSID5051733- UNII
- 0C2N8WIL3B
- EC Number
物性
構造計算による物性
- XLogP
- 3.3
- 極性表面積
- 26 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 1
- 回転可能結合数
- 0
- 重原子数
- 10
- 形式電荷
- 0
- 複雑度
- 108
実験および物理化学的性質
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]
物理化学的性質
- 融点
- 120 · 120-122 °C(lit.)
- 沸点
- 300 °C · 300 °C(lit.)
- 比重(密度)
- 2.35 · 2.35
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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.
危険有害性情報
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%)
毒性情報
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.
化学と産業
用途と製造
Methods of ManufacturingBY CONTROLLED BROMINATION OF ANILINE: SUTHERS ET AL, J ORG CHEM 27, 447 (1962).
General Manufacturing InformationBenzenamine, 2,4,6-tribromo-: ACTIVE
応用分野
使用2,4,6-Tribromoaniline was used in simultaneous determination of phenolic brominated flame retardants and their by-products in water.
一般的な説明Electrochemical 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.
調製方法
製造方法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
純化方法Crystallise the aniline from MeOH. The benzenesulfonamide derivative has m 198o. [Beilstein 12 H 663, 12 I 329, 12 II 358, 12 III 1477, 12 IV 1538.]
上流・下流製品情報
上流原料
下流製品
関連反応
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