4-メトキシ-2-(トリフルオロメチル)安息香酸

4-methoxy-2-(trifluoromethyl)benzoic Acid

HCID 2775294
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基本情報

CAS
127817-85-0
標準SMILES
COc1ccc(C(=O)O)c(C(F)(F)F)c1
InChIKey
MLCRFQSWSHKLDP-UHFFFAOYSA-N
分子式
C9H7F3O3
平均分子量
220.14 g/mol
単同位体質量
220.03472857

名称と識別子

優先名称
4-methoxy-2-(trifluoromethyl)benzoic Acid
IUPAC
4-methoxy-2-(trifluoromethyl)benzoic acid
現地名
4-メトキシ-2-(トリフルオロメチル)安息香酸
英語名
4-METHOXY-2-(TRIFLUOROMETHYL)BENZOIC ACID
分子式
C9H7F3O3
分子量
220.15

名称と別名

4-methoxy-2-(trifluoromethyl)benzoic Acid127817-85-0DTXSID80379504RefChem:293792DTXCID40330530630-215-0MFCD01091013Benzoic acid, 4-methoxy-2-(trifluoromethyl)-4-Methoxy-2-trifluormethylbenzoic acid4-methoxy-2-trifluoromethylbenzoic acid4-Methoxy-2-(trifluoromethyl)benzoicacidSCHEMBL1983309
名称をさらに表示
4-メトキシ-2-(トリフルオロメチル)安息香酸RARECHEM AL BE 11924-Methoxy-2-(Trifluoromethyl)BenzoicAci2-(Trifluoromethyl)-4-methoxybenzoic acid2-(Trifluoromethyl)-p-anisic acid, 2-Carboxy-5-methoxybenzotrifluoride, 4-Carboxy-3-(trifluoromethyl)anisole
MLCRFQSWSHKLDP-UHFFFAOYSA-NSBB064306AKOS005257330AC-3998CS-W014255FM70024FS-20892-trifluoromethyl-4-methoxybenzoic acid

データベース識別子

CAS
127817-85-0
PubChem CID
2775294
DTXSID
DTXSID80379504
EC Number
630-215-0

物性

構造計算による物性

XLogP
2.3
極性表面積
46.5 Ų
水素結合供与体数
1
水素結合受容体数
6
回転可能結合数
2
重原子数
15

物理化学的性質

融点
147 · 147-150°C
沸点
274.8 · 274.8±40.0 °C(Predicted)
比重(密度)
1.38 · 1.380±0.06 g/cm3(Predicted)
貯蔵温度
Sealed in dry,Room Temperature
外見
solid
酸解離定数(Pka)
3.5 · 3.50±0.36(Predicted)

化学的性質

化学的特性White powder

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 6 reports by companies from 3 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.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

安全データ

hs_code
2918999090
hazard_code
Xi
hazard_note
Irritant

化学と産業

応用分野

使用4-methoxy-2-(trifluoromethyl)benzoic acid is useful as a reactant for the synthesis of phenothiazines.

上流・下流製品情報

サプライヤー100 社

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

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