Benzenemethanamine, 3,4-dichloro- (HCID 1608)

名称と識別子

優先名称: Benzenemethanamine, 3,4-dichloro-
IUPAC: (3,4-dichlorophenyl)methanamine
現地名: 3,4-ジクロロベンジルアミン
英語名: 3,4-Dichlorobenzylamine
分子式: C7H7Cl2N
分子量: 176.04

名称と別名

3,4-DichlorobenzylamineBenzenemethanamine, 3,4-dichloro-Benzylamine, 3,4-dichloro-EINECS 203-035-1NSC 25065RefChem:563259Benzylamine, 3,4-dichloro-(8CI)203-035-1102-49-8(3,4-Dichlorophenyl)methanamine1-(3,4-dichlorophenyl)methanamineMFCD00008114

名称をさらに表示

3,4-ジクロロベンジルアミン3,4-ジクロロベンゼンメタンアミン3,4-ジクロロフェニルメタンアミン3，4ジクロロベンジルアミン3,4‐ジクロロベンジルアミン(3,4-ジクロロフェニル)メタンアミン1-(3,4-ジクロロフェニル)メタンアミンRARECHEM AL BW 03523,4-DichlorobenzylamOlanexidine Impurity 93,4-Dichlorobenzylamine>benzylamine, 3,4-dichloro-3,4-DICHLOROBENZYLAMINE 98%3,4-Dichlorobenzylamine,98%3,4-dichloro-benzenemethanamin

3,4-Dichloro-benzylamine(3,4-dichlorophenyl)methylamine(3,4-Dichlorophenyl)methanamine;(3,4-Dichlorophenyl)methanamine3,4-dichlorobenzenemethanamineNSC250653,4-dichlorobezylamine3,4 dichlorobenzylamine3,4 dichloro-benzylamine

データベース識別子

CAS: 102-49-8
PubChem CID: 1608
DTXSID: DTXSID9059254
ChEMBL: CHEMBL276152
EC Number: 203-035-1
Nikkaji: J149.837A

物性

構造計算による物性

XLogP: 2.5
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: 1
重原子数: 10
形式電荷: 0
複雑度: 108

実験および物理化学的性質

SpringerMaterials PropertiesOptical coefficient

物理化学的性質

融点: 332 · 332-333 °C(Solv: N,N-dimethylformamide (68-12-2))
沸点: 80 · 80-82 °C (0.6 mmHg)
比重(密度): 1.32 g/mL · 1.32 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.578(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: 2 · Keep in dark place,Inert atmosphere,2-8°C
酸解離定数(Pka): 8.56 · 8.56±0.10(Predicted)
外見: 液体
比重: 1.322 · 1.322
色: 無色透明～薄黄色
BRN: 508818 · 508818
InChI: 1S/C7H7Cl2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3H,4,10H2
InChIKey: IXHNFOOSLAWRBQ-UHFFFAOYSA-N
SMILES: NCc1ccc(Cl)c(Cl)c1
CAS データベース: 102 · 102-49-8(CAS DataBase Reference)
EPAの化学物質情報: 3 · Benzenemethanamine, 3,4-dichloro- (102-49-8)

化学的性質

化学的特性clear colorless to light yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Corr. 1C (100%)

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 2735 8/PG 3
hs_code: 29214990
risk_code: 34
消防法: 危-4-3-III
hazard_code: C,Xi
hazard_note: Irritant/Air Sensitive
safety_code: 23-26-36/37/39-45
hazard_class: 8
packing_group: III
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

用途と製造

General Manufacturing InformationBenzenemethanamine, 3,4-dichloro-: ACTIVE

応用分野 · 2 件

用途有機合成原料。

使用3,4-Dichlorobenzylamine is a benzylamine compound. Benzylamines are a class of small-molecule compounds with simple structures, widely present in the biological world, with extremely important physiological and pharmacological activities, and are widely used in the research and development of antibacterial drugs. For example, the antifungal drugs terbinafine and butenafine all have the structure of benzylamine.