2-クロロ-4-フルオロベンジルアミン

2-Chloro-4-fluorobenzylamine

HCID 139909CAS 15205-11-5

部分構造検索類似構造を探す

基本情報

標準SMILES: NCc1ccc(F)cc1Cl
InChIKey: CBKWAXKMZUULLO-UHFFFAOYSA-N
分子式: C7H7ClFN
平均分子量: 159.59 g/mol
単同位体質量: 159.02510512

名称と識別子

優先名称: 2-Chloro-4-fluorobenzylamine
IUPAC: (2-chloro-4-fluorophenyl)methanamine
現地名: 2-クロロ-4-フルオロベンジルアミン
英語名: 2-Chloro-4-fluorobenzylamine
分子式: C7H7ClFN
分子量: 159.59

名称と別名

2-Chloro-4-fluorobenzylamine15205-11-5DTXSID10164945RefChem:468993DTXCID6087436670-919-5(2-chloro-4-fluorophenyl)methanamine2-chloro-4-fluorobenzyl amine1-(2-chloro-4-fluorophenyl)methanamineMFCD00042532(2-chloro-4-fluorophenyl)methylamineBenzenemethanamine, 2-chloro-4-fluoro-

名称をさらに表示

2-クロロ-4-フルオロベンジルアミンRARECHEM AL BW 04782-Chloro-4-fluorobenzylamine97%2-Chloro-4-fluorobenzylamine 97%2-Chloro-4-fluorobenzylamine, tech. 90%

2-Chloro-4-Florobenzylamine2-Chloro4-fluorobenzylamine2-chloro-4-fluorobenzylamideSCHEMBL211919SCHEMBL6222592-chloro-4-fluoro-benzylamineSCHEMBL27599031SCHEMBL27694498

データベース識別子

CAS: 15205-11-5
PubChem CID: 139909
DTXSID: DTXSID10164945
EC Number: 670-919-5
Nikkaji: J307.665B

物性

構造計算による物性

XLogP: 1.8
極性表面積: 26 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 110

物理化学的性質

融点: 172 · 172-173 °C(Solv: N,N-dimethylformamide (68-12-2))
沸点: 94 °C · 94 °C
比重(密度): 1.27 · 1.270±0.06 g/cm3(Predicted)
屈折率: 1.535 · 1.535
闪点: 110 °C · >110°C
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
酸解離定数(Pka): 8.46 · 8.46±0.10(Predicted)
外見: liquid
色: Clear, colourless
BRN: 2936421 · 2936421
InChI: InChI=1S/C7H7ClFN/c8-7-3-6(9)2-1-5(7)4-10/h1-3H,4,10H2
InChIKey: CBKWAXKMZUULLO-UHFFFAOYSA-N
SMILES: C1(CN)=CC=C(F)C=C1Cl
CAS データベース: 15205 · 15205-11-5(CAS DataBase Reference)

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

Aggregated GHS information provided per 8 reports by companies from 2 notifications to the ECHA C&L Inventory.

危険有害性情報

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

安全データ

ridadr: 2735
hs_code: 2921490090
risk_code: 34
hazard_code: C
hazard_note: Corrosive
safety_code: 26-36/37/39
hazard_class: 8
packing_group: III

化学と産業

応用分野

使用2-chloro-4-fluorobenzylamine is employed to react with 1-(2-nitrophenyl)pyrrole derivatives to synthesize the corresponding pyrrolo[1,2-a]quinoxaline derivatives.1