CAS 135427-08-6 4-Fluoro-3-methylbenzaldehyde (HCID 2734874)

基本情報

CAS: 135427-08-6
標準SMILES: Cc1cc(C=O)ccc1F
InChIKey: NRFKZFFVTGGEQF-UHFFFAOYSA-N
分子式: C8H7FO
平均分子量: 138.14 g/mol
単同位体質量: 138.04809306

名称と識別子

優先名称: 4-Fluoro-3-methylbenzaldehyde
IUPAC: 4-fluoro-3-methylbenzaldehyde
現地名: 4-フルオロ-3-メチルベンズアルデヒド
英語名: 4-Fluoro-3-methylbenzaldehyde
分子式: C8H7FO
分子量: 138.14

名称と別名

4-Fluoro-3-methylbenzaldehyde135427-08-6DTXSID90370547RefChem:523224DTXCID20321582670-735-5MFCD016314314-fluoro-3-methyl-benzaldehyde4-Fluoro-3-Methyl benzaldehyde3-METHYL-4-FLUOROBENZALDEHYDE4-FLUORO-M-TOLUALDEHYDE4-Fluoro-3-methylbenzaldehyde, 97%

名称をさらに表示

4-フルオロ-3-メチルベンズアルデヒド4-Fluoro-3-methylbenzaldehyde>4-Fluoro-3-methylbenzaldehyde, 97+%Benzaldehyde, 4-fluoro-3-methyl- (9CI)4-Fluoro-m-tolualdehyde, 2-Fluoro-5-formyltoluene

EN300-61152F0001-0459Z732814060Benzaldehyde, 4-fluoro-3-methyl-3-methyl-4-fluoSCHEMBL3360673-methyl-4-fluoro benzaldehydeSCHEMBL3279463

データベース識別子

CAS: 135427-08-6
PubChem CID: 2734874
DTXSID: DTXSID90370547
EC Number: 670-735-5
Nikkaji: J2.987.711D

物性

構造計算による物性

XLogP: 2.4
極性表面積: 17.1 Å²
水素結合供与体数: 0
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: 124

物理化学的性質

沸点: 208 °C · 208 °C (lit.)
比重(密度): 1.132 g/mL · 1.132 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.522(lit.)
闪点: 79 °C · 79 °C
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
外見: clear liquid
色: Colorless to Almost colorless
水溶解度: 水にわずかに溶ける。
BRN: 4797794 · 4797794
InChI: 1S/C8H7FO/c1-6-4-7(5-10)2-3-8(6)9/h2-5H,1H3
InChIKey: NRFKZFFVTGGEQF-UHFFFAOYSA-N
SMILES: Cc1cc(C=O)ccc1F
CAS データベース: 135427 · 135427-08-6(CAS DataBase Reference)

化学的性質

化学的特性yellow-greenish liquid or low melting solid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 7 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 Irrit. 2 (100%)

安全データ

wgk: 3
hs_code: 29130000
risk_code: 36/37/38
消防法: 危-4-3-III
hazard_code: Xi
safety_code: 37/39-26-24/25
hazard_class: IRRITANT
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野

使用4-Fluoro-3-methylbenzaldehyde is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dye stuff field.