2,4,6-トリクロロフェニルヒドラジン

(2,4,6-Trichlorophenyl)hydrazine

HCID 79234CAS 5329-12-4

部分構造検索類似構造を探す

基本情報

標準SMILES: NNc1c(Cl)cc(Cl)cc1Cl
InChIKey: MULHANRBCQBHII-UHFFFAOYSA-N
分子式: C6H5Cl3N2
平均分子量: 211.5 g/mol
単同位体質量: 209.9518312

概要

RN given refers to parent cpd

名称と識別子

優先名称: (2,4,6-Trichlorophenyl)hydrazine
IUPAC: (2,4,6-trichlorophenyl)hydrazine
現地名: 2,4,6-トリクロロフェニルヒドラジン
英語名: 2,4,6-Trichlorophenylhydrazine
分子式: C6H5Cl3N2
分子量: 211.48

名称と別名

2,4,6-Trichlorophenylhydrazine(2,4,6-Trichlorophenyl)hydrazine5329-12-4Hydrazine, (2,4,6-trichlorophenyl)-3ARF2RVG9WDTXSID5063780NSC-1869RefChem:82105DTXCID2041387226-217-22,4,6-trichlorophenyl hydrazineMFCD00025090

名称をさらに表示

2,4,6-トリクロロフェニルヒドラジン２，４，６トリクロロフェニルヒドラジン2,4,6-トリクロロフェニルヒドラジン, 98%0/4/29AKOS BBS-00004217TIMTEC-BB SBB0034342,4,6-TrichlorophenyTrichlorophenylhydrazine6-Trichlorophenylhydrazine2,4,6-TRICHLORPHENYLHYDRAZINE2,4,6-Trichlorohydrazinobenzene(2,4,6-trichlorophenyl)-hydrazin

1-(2,4,6-Trichlorophenyl)hydrazine529-12-4UNII-3ARF2RVG9W2,4,6 trichlorophenylhydrazineSCHEMBL1997250SCHEMBL6018014SCHEMBL6018016(2,6-Trichlorophenyl)hydrazine

データベース識別子

CAS: 5329-12-4
PubChem CID: 79234
DTXSID: DTXSID5063780
UNII: 3ARF2RVG9W
EC Number: 226-217-2
Nikkaji: J29.951K

物性

構造計算による物性

XLogP: 3
極性表面積: 38.1 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: 1
重原子数: 11
形式電荷: 0
複雑度: 121

実験および物理化学的性質

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

物理化学的性質

融点: 140 · 140-142 °C(lit.)
沸点: 343.65 °C · 343.65°C (rough estimate)
比重(密度): 1.6776 · 1.6776 (rough estimate)
屈折率: 1.6 · 1.6000 (estimate)
貯蔵温度: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
溶解性: 0.1 g/mL、透明 · ベンゼン: 0.1 g/mL、透明
酸解離定数(Pka): 3.8 · 3.80±0.33(Predicted)
水溶解度: アセトンに可溶。水に不溶。
BRN: 1841962 · 1841962
Henry's Law Constant: 3.1 · 3.1×103 mol/(m3Pa) at 25℃, Zhang et al. (2010)
CAS データベース: 5329 · 5329-12-4(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2,4,6-Trichlorophenyl hydrazine(5329-12-4)
EPAの化学物質情報: Hydrazine, (2,4,6-trichlorophenyl)- (5329-12-4)

化学的性質

化学的特性white to light yellow crystal powde

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (13%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 46 reports by companies from 6 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

Chemical: Hydrazine, (2,4,6-trichlorophenyl)-

Hydrazine, (2,4,6-trichlorophenyl)-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesAcute Tox. 4 (13%)

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN2811
hs_code: 29280000
risk_code: 36/37/38-20/21/22
化審法: 3-475
hazard_code: Xi,Xn
safety_code: 26-36-36/37
hazard_class: 6.1
packing_group: III

化学と産業

用途と製造

General Manufacturing InformationHydrazine, (2,4,6-trichlorophenyl)-: INACTIVE

応用分野

用途有機合成原料。

使用2,4,6-Trichlorophenylhydrazine is used as a pharmaceutical intermediate.

上流・下流製品情報

下流製品

1,2,3,5-テトラクロロベンゼン

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