2-ブロモアニリン

2-Bromoaniline

HCID 11992CAS 615-36-1

部分構造検索類似構造を探す

基本情報

標準SMILES: Nc1ccccc1Br
InChIKey: AOPBDRUWRLBSDB-UHFFFAOYSA-N
分子式: C6H6BrN
平均分子量: 172.02 g/mol
単同位体質量: 170.96836129

名称と識別子

優先名称: 2-Bromoaniline
IUPAC: 2-bromoaniline
現地名: 2-ブロモアニリン
英語名: 2-Bromoaniline
分子式: C6H6BrN
分子量: 172.02

名称と別名

2-BROMOANILINE615-36-1o-BromoanilineBenzenamine, 2-bromo-Aniline, o-bromo-o-AminobromobenzeneVTP98DS78ENSC-7086DTXSID5060645RefChem:85845DTXCID0043054210-421-3

名称をさらに表示

2-ブロモアニリン2-ブロモベンゼンアミン(2-ブロモフェニル)アミンo-ブロモアニリン2ブロモアニリンｏブロモアニリン2‐ブロモアニリン2-Bromoanilines1-Amino-2-bromobenzene2-BromoaniLBROMOANILINE(2-)AKOS BBS-000036502-bromo-benzenamin

2-bromobenzenamine2-bromo-aniline2-bromophenylamineMFCD00007632aniline, 2-bromo-2-bromioanilineo-bromo-aniline2-bromaniline

データベース識別子

CAS: 615-36-1
PubChem CID: 11992
DTXSID: DTXSID5060645
UNII: VTP98DS78E
EC Number: 210-421-3
Nikkaji: J94.957D

物性

構造計算による物性

XLogP: 2.1
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: 8
形式電荷: 0
複雑度: 74.9

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Amines, Aromatic

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

Vapor Pressure0.04 [mmHg]

Physical DescriptionBrown solid; mp = 27-32 deg C; [Alfa Aesar MSDS]

物理化学的性質

融点: 24 · 24-28 °C (lit.)
沸点: 229 °C · 229 °C (lit.)
比重(密度): 1.52 g/mL · 1.52 g/mL at 25 °C (lit.)
屈折率: 1.617 · 1.617-1.619
闪点: 230 °F · >230 °F
貯蔵温度: 2 · 2-8°C
溶解性: 0.949 g/リットル · 0.949g/リットル
外見: 融解後の液体
酸解離定数(Pka): 2.53 · 2.53(at 25℃)
色: 澄んだ黄色から赤褐色
水溶解度: 水に不溶。
BRN: 742062 · 742062
InChI: 1S/C6H6BrN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2
InChIKey: AOPBDRUWRLBSDB-UHFFFAOYSA-N
SMILES: Nc1ccccc1Br
CAS データベース: 615 · 615-36-1(CAS DataBase Reference)
NISTの化学物質情報: 2 · Benzenamine, 2-bromo-(615-36-1)
EPAの化学物質情報: 2 · Benzenamine, 2-bromo- (615-36-1)

化学的性質

化学的特性CLEAR YELLOW TO RED-BROWN LIQUID AFTER MELTING

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (96.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P262, P264, P270, P273, P280, P301+P317, P302+P352, P316, P319, P321, P330, P361+P364, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 53 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: Benzenamine, 2-bromo-

Status: Active Update: 03-07-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/23361

2-Bromoaniline: 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 ingestion and inhalation; Toxic by skin absorption; Prolonged or repeated exposure may cause organ injury; [Alfa Aesar MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (96.2%)

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: 8-23
wgk: 3
tsca: TSCA listed
ridadr: UN 2811 6.1/PG 3
hs_code: 29214210
risk_code: 23/24/25-33-52/53-36/37/38-20/21/22-24/25
化審法: (3)-221
hazard_code: T,Xn
hazard_note: Toxic
safety_code: 36/37-45-61-36/37/39-26
hazard_class: 6.1
packing_group: III
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1STOT RE 2
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

General Manufacturing InformationBenzenamine, 2-bromo-: ACTIVE

応用分野

用途有機合成原料。

使用2-Bromoaniline is used as a corrosion inhibitor, emulsifying and antiseptic agents. It is used in the rubber industry, e.g. diphenylguanidines, phenylenediamines mercaptobenzothiazoles, aniline ketones and etc.