4-bromo-N,N-dimethylaniline (HCID 11465)

名称と識別子

優先名称: 4-bromo-N,N-dimethylaniline
IUPAC: 4-bromo-N,N-dimethylaniline
現地名: 4-ブロモ-N,N-ジメチルアニリン
英語名: 4-Bromo-N,N-dimethylaniline
分子式: C8H10BrN
分子量: 200.08

名称と別名

4-Bromo-N,N-dimethylaniline586-77-6p-Bromo-N,N-dimethylaniline4-DimethylaminobromobenzeneBenzenamine, 4-bromo-N,N-dimethyl-N,N-Dimethyl-4-bromoaniline1-Bromo-4-(dimethylamino)benzenep-Dimethylaminobromobenzenep-(Dimethylamino)phenyl bromidep-Bromo(dimethylamino)benzeneANILINE, 4-BROMO-N,N-DIMETHYL-p-N,N-Dimethylaminobromobenzene

名称をさらに表示

4-ブロモ-N,N-ジメチルアニリンp-ブロモ-N,N-ジメチルアニリンN,N-ジメチル-4-ブロモベンゼンアミン1-ブロモ-4-(ジメチルアミノ)ベンゼン1-(ジメチルアミノ)-4-ブロモベンゼンN,N-ジメチル-4-ブロモアニリン4‐ブロモ‐N,N‐ジメチルアニリンp-ブロモo-N,N-ジメチルアニリンN-diMethylanilinep-Br-DMA4-BroMo-N4-(Dimethylami4-Bromo-N,N-dimethylBROMODIMETHYLANILINEUlipristal Impurity 144-bromo-dimethylanilineN, N-diMethyl-broMoaniline

4-(Dimethylamino)phenyl bromideAniline, p-bromo-N,N-dimethyl-NSC 8056EINECS 209-582-2N,NDimethylpbromoanilinepBromoN,NdimethylanilineN,NDimethyl4bromoanilinepDimethylaminobromobenzene

データベース識別子

CAS: 586-77-6
PubChem CID: 11465
DTXSID: DTXSID2060414
ChEMBL: CHEMBL3098160
UNII: K49ZS2E9KX
EC Number: 209-582-2
Nikkaji: J55.361A

物性

構造計算による物性

XLogP: 3.2
極性表面積: 3.2 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 95

実験および物理化学的性質

Physical DescriptionOff-white crystalline solid; [Alfa Aesar MSDS]

物理化学的性質

融点: 52 · 52-54 °C (lit.)
沸点: 264 °C · 264 °C (lit.)
比重(密度): 1.322 · 1.3220
屈折率: 1.5748 · 1.5748 (estimate)
闪点: 230 °F · >230 °F
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: クロロホルム、メタノール
外見: 結晶性固体
酸解離定数(Pka): 4.23 · 4.23(at 25℃)
色: 白から灰色または水色
水溶解度: メタノールに可溶。水に不溶。
BRN: 2206155 · 2206155
安定性: 安定。酸化剤、酸、金属と相容れない。
InChI: 1S/C8H10BrN/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,1-2H3
InChIKey: XYZWMVYYUIMRIZ-UHFFFAOYSA-N
SMILES: CN(C)c1ccc(Br)cc1
CAS データベース: 586 · 586-77-6(CAS DataBase Reference)
NISTの化学物質情報: 4 · 4-Bromo-N,N-dimethylaniline(586-77-6)
EPAの化学物質情報: N,N-Dimethyl-p-bromoaniline (586-77-6)

化学的性質

化学的特性white to light grey powder

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (98.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (96.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (98.4%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (98.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (96.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 64 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

Regulatory Information · 2 件

Status: Active Update: 28-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20096

Benzenamine, 4-bromo-N,N-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; May induce methemoglobinemia; Harmful by inhalation; Toxic by ingestion and skin absorption; [Alfa Aesar MSDS] See 4-Chloroaniline and 4-Bromoaniline.

Hazard Classes and CategoriesAcute Tox. 4 (98.4%)；Acute Tox. 4 (96.9%)；Skin Irrit. 2 (98.4%)；Eye Irrit. 2 (98.4%)；Acute Tox. 4 (96.9%)

毒性情報

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

法規制情報

Regulatory Information · 2 件

Status: Active Update: 28-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20096

Benzenamine, 4-bromo-N,N-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

安全データ

F: 8
wgk: 3
tsca: TSCA listed
rtecs: BW9300000
ridadr: 2811
hs_code: 29214290
risk_code: 20/21/22-36/38-33-22
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 26-36-45-37-28A
hazard_class: 6.1(b)
packing_group: III
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing InformationBenzenamine, 4-bromo-N,N-dimethyl-: ACTIVE

応用分野

使用4-Bromo-N,N-dimethylaniline is used as an internal standard in the determination of iodine present as iodide (as in pharmaceuticals), iodate (as in iodized table salt) and covalently bound to organic compounds (as in milk and vegetables).

調製方法

純化方法Reflux the aniline for 3hours with two equivalents of acetic anhydride, then fractionally distil it under reduced pressure. [Beilstein 12 IV 1499.]