イソシアン酸2,4-ジフルオロフェニル

2,4-Difluorophenyl isocyanate

HCID 593258CAS 59025-55-7

部分構造検索類似構造を探す

基本情報

標準SMILES: O=C=Nc1ccc(F)cc1F
InChIKey: HNENEALJPWJWJY-UHFFFAOYSA-N
分子式: C7H3F2NO
平均分子量: 155.1 g/mol
単同位体質量: 155.01827016

名称と識別子

優先名称: 2,4-Difluorophenyl isocyanate
IUPAC: 2,4-difluoro-1-isocyanatobenzene
現地名: イソシアン酸2,4-ジフルオロフェニル
英語名: 2,4-Difluorophenyl isocyanate
分子式: C7H3F2NO
分子量: 155.1

名称と別名

2,4-Difluorophenyl isocyanate59025-55-7Benzene, 2,4-difluoro-1-isocyanato-DTXSID40343928RefChem:82428DTXCID90295004628-125-1HNENEALJPWJWJY-UHFFFAOYSA-N2,4-Difluoro-1-isocyanatobenzene2,4-Difluorophenylisocyanate2,4-difluoro-1-isocyanato-benzeneMFCD00001997

名称をさらに表示

2，4‐ジフルオロフェニルイソシアナ-トイソシアン酸2,4-ジフルオロフェニル2,4-ジフルオロ-1-イソシアナトベンゼンイソシアン酸2,4-ジフルオロフェニル, 98+%(2,4-ジフルオロフェニル)イソシアナート2,4-ジフルオロフェニルイソシアナート2,4-DifLSBB00653736952_FLUKAZINC00164769250759_ALDRICHTIMTEC-BB SBB0065372,4-Difluorophenyl iDifluorophenyl isocyanatDIFLUOROPHENYLISO-CYANATE2,4-Diflurophenyl isocyanate

Isocyanic Acid 2,4-Difluorophenyl EsterSCHEMBL765962,4-difluoro phenyl isocyanate2,4-difluoro-1-isocyanato benzene2,4-DifluBenzene, 2,4-difluoro-1-isocyanato- (9CI)2,4-diflurophenylisocyanate2,4 difluorophenyl isocyanate

データベース識別子

CAS: 59025-55-7
PubChem CID: 593258
DTXSID: DTXSID40343928
EC Number: 628-125-1
Nikkaji: J586.173J

物性

構造計算による物性

XLogP: 2.9
極性表面積: 29.4 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 179

物理化学的性質

沸点: 42 °C/6 · 42 °C/6 mmHg (lit.)
比重(密度): 1.309 g/mL · 1.309 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.490(lit.)
闪点: 50 °C · 50 °C
貯蔵温度: 2 · 2-8°C
外見: clear liquid
色: Colorless to Almost colorless
BRN: 2831577 · 2831577
InChI: 1S/C7H3F2NO/c8-5-1-2-7(10-4-11)6(9)3-5/h1-3H
InChIKey: HNENEALJPWJWJY-UHFFFAOYSA-N
SMILES: Fc1ccc(N=C=O)c(F)c1
CAS データベース: 59025 · 59025-55-7(CAS DataBase Reference)

化学的性質

化学的特性Clear colorless to faintly yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P370+P378, P403, P403+P233, P403+P235, 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

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

安全データ

F: 10-19-21
wgk: 3
ridadr: UN 2478 3/PG 3
hs_code: 29291090
risk_code: 20/21/22-36/37/38-42-10
消防法: 危-4-2-III
hazard_code: Xn,T,Xi
hazard_note: Toxic/Lachrymatory/Moisture Sensitive
safety_code: 26-36/37-45-36/37/39-16
hazard_class: 6.1
packing_group: II
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 3Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
ストレージクラス: 3 - Flammable liquids

化学と産業

応用分野

使用2,4-Difluorophenyl isocyanate has been used:in the synthesis of N,N-disubstituted S,N′-diarylisothioureasas blocking reagent, to modify the hydroxyl, amine and epoxide functional groups of cured MY720/DDS epoxy thin films