2-アミノベンゾトリフルオリド

2-アミノベンゾトリフルオリド · o-トリフルオロメチルアニリン · 2-(トリフルオロメチル)-1-ベンゼンアミン · 2-トリフルオロメチルベンゼンアミン · 2-トリフルオロメチルアニリン · 2-(トリフルオロメチル)アニリン · α,α,α-トリフルオロ-o-トルイジン · o-アミノベンゾトリフルオリド

https://huagongshe.com/ja/chemical/6922

識別子と物理属性

CAS No.	88-17-5
分子式	C7H6F3N
平均分子量	161.12 g/mol
単同位体質量	161.04523385 g/mol
SMILES	Nc1ccccc1C(F)(F)F
InChIKey	VBLXCTYLWZJBKA-UHFFFAOYSA-N
PubChem CID	6922
ChEMBL	CHEMBL249549
EC No.	201-806-7
DTXSID	DTXSID7058961
現地名	2-アミノベンゾトリフルオリド

化学・物理的性質

XLogP	2.4
極性表面積	26
水素結合供与体数	1
水素結合受容体数	4
回転可能結合数	0
重原子数	11
形式電荷	0
複雑度	132
物質分類	Flammable agents - 2nd degree
PFAS	PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008PFAS -> Suspected persistent, mobile, toxic (PMT) PFAS or PFAS-like compounds
SpringerMaterials Properties	13C nuclear magnetic resonance spectrum
Physical Description	2-trifluoromethylaniline appears as a colorless liquid with a fishlike odor. Insoluble in water and denser than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion. Used to make other chemicals.
融点	34 °C(lit.)
沸点	170-173 °C(lit.)
密度	1.282 g/mL at 25 °C(lit.)
蒸気圧	2.1-12.1hPa at 20-50℃
屈折率	n20/D 1.481(lit.)
引火点	131 °F
貯蔵条件	Store below +30°C.
溶解度	4g/リットル4g/L（20℃）
外観・状態	液体
pKa（酸解離定数）	1.10±0.10(Predicted)
比重	1.282
色	無色透明～淡い琥珀色
BRN	879494
InChI	1S/C7H6F3N/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4H,11H2
InChIKey	VBLXCTYLWZJBKA-UHFFFAOYSA-N
SMILES	Nc1ccccc1C(F)(F)F
LogP（分配係数）	2.32 at 23℃ and pH7
CAS データベース	88-17-5(CAS DataBase Reference)
NISTの化学物質情報	Benzenamine, 2-(trifluoromethyl)-(88-17-5)
EPAの化学物質情報	o-(Trifluoromethyl)aniline (88-17-5)

化学的特性

clear colorless to light amber liquid

安全性と法規制

GHS 分類	This chemical does not meet GHS hazard criteria for 0.8% (2 of 236) of reports.DangerH226 (64%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 236 reports by companies from 19 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
規制情報	Status: Active Update: 21-05-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/113162-(Trifluoromethyl) aniline: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
輸送ラベル（DOT）	Poison
火災危険	Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:· Combustible material: may burn but does not ignite readily.
健康有害性	Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:· TOXIC and/or CORROSIVEinhalation, ingestion or skin contact with material may cause severe injury or death.
輸送番号・ガイド（DOT）	2942 153
反応性グループ	Fluorinated Organic Compounds
Reactivity Profile	2-TRIFLUOROMETHYLANILINE is a trifluoromethyl- and amine-substituted aromatic compound. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.

用途

一般的な説明

A colorless liquid with a fishlike odor. Insoluble in water and denser than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion. Used to make other chemicals.