4-Bromobenzene-1,2-diamine (HCID 323593)

名称と識別子

優先名称: 4-Bromobenzene-1,2-diamine
IUPAC: 4-bromobenzene-1,2-diamine
現地名: 4-ブロモ-o-フェニレンジアミン
英語名: 4-Bromo-1,2-benzenediamine
分子式: C6H7BrN2
分子量: 187.04

名称と別名

4-bromobenzene-1,2-diamine1,2-Benzenediamine, 4-bromo-DTXSID80314531RefChem:520458DTXCID20265654629-615-81575-37-74-Bromo-1,2-benzenediamine4-Bromo-1,2-diaminobenzene1,2-Diamino-4-bromobenzene4-Bromo-o-phenylenediamine2-Amino-4-bromoaniline

名称をさらに表示

1,2-ジアミノ-4-ブロモベンゼン4-ブロモベンゼン-1,2-ジアミン4-ブロモ-1,2-ベンゼンジアミン4-ブロモ-o-フェニレンジアミン4-ブロモ-1,2-フェニレンジアミン4-ブロモ-1,2-ベンゼンジアミン臭化物4-ブロモ-1,2-ジアミノベンゼン4-ブロモ-1,2-フェニレン-ジアミン3-BROMO-1,2-DIAMINOBENZENE4-BroMo-12-benzenediaMineBUTTPARK 95\04-564-Bromo-o-phenyleOliceridine Impurity 12

4-Bromo-1,2-phenylenediamineMFCD026606222-amino-4-bromophenylamineUKC7FT8YHS4-Bromo-2-aminoanilineNSC-2851103,4-Diaminobromobenzene4-Bromo-benzene-1,2-diamine

データベース識別子

CAS: 1575-37-7
PubChem CID: 323593
DTXSID: DTXSID80314531
UNII: UKC7FT8YHS
EC Number: 629-615-8
Nikkaji: J80.240I

物性

構造計算による物性

XLogP: 1.3
極性表面積: 52 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 97.1

物理化学的性質

融点: 65 · 65-69 °C (dec.)(lit.)
沸点: 289.3 · 289.3±20.0 °C(Predicted)
比重(密度): 1.697 · 1.697±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: クロロホルムに可溶。
外見: powder to crystal
酸解離定数(Pka): 3.46 · 3.46±0.10(Predicted)
色: White to Brown
InChI: InChI=1S/C6H7BrN2/c7-4-1-2-5(8)6(9)3-4/h1-3H,8-9H2
InChIKey: WIHHVKUARKTSBU-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(Br)C=C1N
CAS データベース: 1575 · 1575-37-7(CAS DataBase Reference)

化学的性質

化学的特性White solid

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 1.8% (1 of 55) of reports.

Danger

H301 (83.6%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 55 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Status: Active Update: 28-11-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/7523

1,2-Benzenediamine, 4-bromo-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 3 (83.6%)

安全データ

wgk: 3
ridadr: UN 2811 6.1/PG 3
hs_code: 29215110
risk_code: 25-36/38-43
安衛法: 変異原性物質
hazard_code: T
hazard_note: Toxic
safety_code: 26-36/37-45
hazard_class: 6.1
packing_group: III
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

応用分野

使用4-Bromo-o-phenylenediamine, is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.

一般的な説明4-Bromo-1,2-diaminobenzene can be obtained from 1,2-diaminobenzene via acetylation followed by bromination and alkaline hydrolysis.