2,6-Dibromoaniline (HCID 69098)

名称と識別子

優先名称: 2,6-Dibromoaniline
IUPAC: 2,6-dibromoaniline
現地名: 2,6-ジブロモベンゼンアミン
英語名: 2,6-Dibromoaniline
分子式: C6H5Br2N
分子量: 250.92

名称と別名

2,6-Dibromoaniline608-30-0Aniline, 2,6-dibromo-2,6-DibromobenzenamineEINECS 210-158-4DTXSID10209643NSC 305RefChem:83143DTXCID60132134210-158-4InChI=1/C6H5Br2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9HXIRRDAWDNHRRLB-UHFFFAOYSA-N

名称をさらに表示

2,6-ジブロモアニリン2,6-ジブロモベンゼンアミン2,6-ジブロモアニリン, 97%2,6-DibromanilinDibromoaniline2,6-DibromoaniL2,6-Bibromoaniline2,6-Dibrormoaniline

Benzenamine, 2,6-dibromo-2,6-dibromophenylamineMFCD000076382,6-Dibromobenzanamine2,6-Dibromoanilin2768654-99-3Benzenamine,2,6-dibromo-2,6-Dibromobenzenamine-d3

データベース識別子

CAS: 608-30-0
PubChem CID: 69098
DTXSID: DTXSID10209643
EC Number: 210-158-4
Nikkaji: J95.569H

物性

構造計算による物性

XLogP: 2.6
極性表面積: 26 Å²
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: 9
形式電荷: 0
複雑度: 87

実験および物理化学的性質

Physical DescriptionBeige crystalline solid; [Sigma-Aldrich MSDS]

Kovats Retention Index1370；1370

物理化学的性質

融点: 80 · 80-82 °C (lit.)
沸点: 262 · 262-264 °C (lit.)
比重(密度): 1.9318 · 1.9318 (rough estimate)
屈折率: 1.58 · 1.5800 (estimate)
闪点: 262 · 262-264°C
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: クロロホルム、メタノール
酸解離定数(Pka): 0.48 · 0.48±0.10(Predicted)
外見: 結晶性粉末
色: 白色から淡黄色または灰色
水溶解度: 水に不溶。
BRN: 2207094 · 2207094
InChI: 1S/C6H5Br2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2
InChIKey: XIRRDAWDNHRRLB-UHFFFAOYSA-N
SMILES: Nc1c(Br)cccc1Br
CAS データベース: 608 · 608-30-0(CAS DataBase Reference)
NISTの化学物質情報: 2 · Benzenamine, 2,6-dibromo-(608-30-0)

化学的性質

化学的特性white to pale yellow or grey crystalline powder

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H311 (10.4%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (81.2%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (16.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (95.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P262, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P333+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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazards Summary · 1 件

A skin and strong eye irritant; May induce methemoglobinemia; May cause skin sensitization; [Sigma-Aldrich MSDS] See 2,4,6-Tribromoaniline, 2-Bromoaniline, and 4-Bromoaniline. Search for (608-30-0[EC/RN Number]) AND (allergic OR dermatitis OR sensitization OR sensitizer): no results; [PubMed]

Hazard Classes and CategoriesAcute Tox. 4 (16.7%)；Acute Tox. 3 (10.4%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (81.2%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (16.7%)；STOT SE 3 (95.8%)

毒性情報

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect

安全データ

F: 10
wgk: 3
ridadr: 2811
hs_code: 29214200
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: 6.1
packing_group: III
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用2,5-Dibromoaniline was used in the synthesis of 2,4,5-tribromoaniline1. It was also used as starting reagent in the regioselective synthesis of 2-(3,4-dimethoxyphenyl)-5-bromobenzothiazole.