4-フルオロ-o-トルイジン

4-フルオロ-o-トルイジン · 4-フルオロ-2-メチルアニリン · 2-メチル-4-フルオロアニリン · 2-アミノ-5-フルオロトルエン · 4‐フルオロ‐2‐メチルアニリン · 2-AMINO-5-FLUOROTOLUENE · 4-Fluoro-2-methylbenzenamine · 4-fluorotoluidine

https://huagongshe.com/ja/chemical/67982

識別子と物理属性

CAS No.	452-71-1
分子式	C7H8FN
平均分子量	125.14 g/mol
単同位体質量	125.06407742 g/mol
SMILES	Cc1cc(F)ccc1N
InChIKey	KMHLGVTVACLEJE-UHFFFAOYSA-N
PubChem CID	67982
EC No.	207-208-2
DTXSID	DTXSID6060008
現地名	4-フルオロ-o-トルイジン

化学・物理的性質

XLogP	1.4
極性表面積	26
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	0
重原子数	9
形式電荷	0
複雑度	94
融点	14.2°C
沸点	90-92 °C/16 mmHg (lit.)
密度	1.126 g/mL at 25 °C (lit.)
屈折率	n20/D 1.537(lit.)
引火点	190 °F
貯蔵条件	Keep in dark place,Inert atmosphere,2-8°C
pKa（酸解離定数）	4.51±0.10(Predicted)
外観・状態	clear liquid
色	Light yellow to Yellow to Orange
比重	1.126
BRN	1931798
InChI	1S/C7H8FN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H3
InChIKey	KMHLGVTVACLEJE-UHFFFAOYSA-N
SMILES	Cc1cc(F)ccc1N
CAS データベース	452-71-1(CAS DataBase Reference)
NISTの化学物質情報	Benzenamine, 4-fluoro-2-methyl-(452-71-1)
EPAの化学物質情報	4-Fluoro-2-methylaniline (452-71-1)

化学的特性

colorlesstolightyellowliqui

安全性と法規制

GHS 分類	DangerH302 (98%): Harmful if swallowed [Warning Acute toxicity, oral]H311 (10.2%): Toxic in contact with skin [Danger Acute toxicity, dermal]H312 (89.8%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (98%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (89.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H373 (10.2%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard Classes and Categories	Acute Tox. 4 (98%)Acute Tox. 3 (10.2%)Acute Tox. 4 (89.8%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (89.8%)STOT RE 2 (10.2%)
水環境危害等級（WGK）	3
TSCA 収載状態	TSCA listed
RTECS 番号	CY0500000
輸送番号（UN）	2810
税関コード	29214300
危険文句（R）	20/21/22-36/37/38-23/24/25

用途

使用

4-Fluoro-2-methylaniline was used in the synthesis of 4-fluoro-N-[(E)-{7-methoxy-2-[4-(methylsulfanyl)phenyl]-1-benzofuran-5-yl}methylidene]-2-methylaniline.