HCID69098

2,6-Dibromoaniline

C6H5Br2N250.92 g/molCAS 608-30-0

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: Nc1c(Br)cccc1Br
InChIKey: XIRRDAWDNHRRLB-UHFFFAOYSA-N
分子式: C6H5Br2N
平均分子量: 250.92 g/mol
单同位素质量: 248.87887

COMPUTED

结构计算性质

已同步

XLogP: 2.6
极性表面积: 26 Å²
氢键供体: 1
氢键受体: 1
可旋转键: 0
重原子: 9
形式电荷: 0
复杂度: 87

PROPERTIES

实验与物化性质

Physical Description

Beige crystalline solid; [Sigma-Aldrich MSDS]

Kovats Retention Index

1370；1370

GHS

GHS分类

GHS Classification

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.

HAZARDS

危害信息

Hazards Summary

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 Categories

Acute 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%)

TOXICITY

毒理信息

Adverse Effects

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

ALIASES

名称与别名

共 45 条

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

REACTIONS