2-(Trifluoromethyl)aniline (HCID 6922)

概要

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.

名称と識別子

優先名称: 2-(Trifluoromethyl)aniline
IUPAC: 2-(trifluoromethyl)aniline
現地名: 2-アミノベンゾトリフルオリド
英語名: 2-Aminobenzotrifluoride
分子式: C7H6F3N
分子量: 161.12

名称と別名

2-(TRIFLUOROMETHYL)ANILINE2-Aminobenzotrifluoride88-17-52-Trifluoromethylanilineo-(Trifluoromethyl)anilineBenzenamine, 2-(trifluoromethyl)-alpha,alpha,alpha-Trifluoro-o-toluidineCCRIS 28112-trifluoromethylphenylamineEINECS 201-806-72-TrifluromethylanilineAI3-26182

名称をさらに表示

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2-(トリフルオロメチル)ベンゼンアミンo-アミノ-α,α,α-トリフルオロトルエン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2-(trifluoromethyl)2-AminotrifluorotolueneO-AMINOBENZOTRIFLUORIDE2-(TrifLAKOS 911352-TrifluoroMetAKOS BBS-00004462TIMTEC-BB SBB0039552-Aminobenzotrifluor

I1R59842CENSC-10336UNII-I1R59842CEDTXSID7058961.alpha.,.alpha.,.alpha.-Trifluoro-o-toluidineEC 201-806-7UN 29422-AMINO-.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUOROTOLUENE

データベース識別子

CAS: 88-17-5
PubChem CID: 6922
DTXSID: DTXSID7058961
ChEMBL: CHEMBL249549
UNII: I1R59842CE
EC Number: 201-806-7
Nikkaji: J59.713I

物性

構造計算による物性

XLogP: 2.4
極性表面積: 26 Å²
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

実験および物理化学的性質

Chemical ClassesFlammable agents - 2nd degree

PFAS · 2 件

PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

PFAS -> Suspected persistent, mobile, toxic (PMT) PFAS or PFAS-like compounds

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physical Description2-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.

物理化学的性質

融点: 34 °C · 34 °C(lit.)
沸点: 170 · 170-173 °C(lit.)
比重(密度): 1.282 g/mL · 1.282 g/mL at 25 °C(lit.)
蒸気圧: 2.1 · 2.1-12.1hPa at 20-50℃
屈折率: 20 · n20/D 1.481(lit.)
闪点: 131 °F · 131 °F
貯蔵温度: 30 °C · Store below +30°C.
溶解性: 4 g/リットル · 4g/リットル
外見: 液体
酸解離定数(Pka): 1.1 · 1.10±0.10(Predicted)
比重: 1.282 · 1.282
色: 無色透明～淡い琥珀色
水溶解度: 4 g/L · 4g/L（20℃）
BRN: 879494 · 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: 2.32 at · 2.32 at 23℃ and pH7
CAS データベース: 88 · 88-17-5(CAS DataBase Reference)
NISTの化学物質情報: 2 · Benzenamine, 2-(trifluoromethyl)-(88-17-5)
EPAの化学物質情報: o-(Trifluoromethyl)aniline (88-17-5)

化学的性質

化学的特性clear colorless to light amber liquid

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 0.8% (2 of 236) of reports.

Danger

H226 (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.

危険有害性情報

Regulatory Information · 3 件

Status: Active Update: 21-05-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/11316

2-(Trifluoromethyl) aniline: Does not have an individual approval but may be used under an appropriate group standard

The 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.)

DOT LabelPoison

Fire Hazards · 2 件

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

· Combustible material: may burn but does not ignite readily.

Health Hazards · 2 件

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

· TOXIC and/or CORROSIVE; inhalation, ingestion or skin contact with material may cause severe injury or death.

DOT ID and Guide2942 153

Reactive GroupFluorinated Organic Compounds

安全と保護具

Fire FightingExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

Accidental Release Measures · 2 件

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 2 件

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

General First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).

Nonfire Spill ResponseExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

Isolation and Evacuation · 2 件

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

Immediate precautionary measure

安全データ

wgk: 1
tsca: TSCA listed
rtecs: XU9210000
ridadr: UN 2942
hs_code: 29214300
risk_code: 10-23/24/25-33-36/37/38-22-20/21/22
化審法: (3)-223
消防法: 危-4-2-III
hazard_code: T,Xi,Xn,F
hazard_note: Toxic/Irritant
safety_code: 36/37/39-45-37/39-26-16-36
hazard_class: 6.1
packing_group: III
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 2Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2Skin Sens. 1BSTOT RE 2 Oral
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

General Manufacturing InformationBenzenamine, 2-(trifluoromethyl)-: ACTIVE

応用分野

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.

上流・下流製品情報

上流原料

下流製品

6-アミノ-4-ヒドロキシ-5-[[2-(トリフルオロメチル)フェニル]アゾ]-2-ナフタレンスルホン酸ナトリウム 8-(TRIFLUOROMETHYL)QUINOLINE-2-CARBALDEHYDE 4-クロロ-8-(トリフルオロメチル)キノリンイソシアン酸2-(トリフルオロメチル)フェニル 4-アミノベンゾトリフルオリド ACID RED 337

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海策嵘生物科技有限公司[email protected]

山东科研制药有限公司13053388919

2-アミノベンゾトリフルオリド

基本情報

概要

名称と識別子

名称と別名

データベース識別子

物性

構造計算による物性

実験および物理化学的性質

物理化学的性質

化学的性質

安全と法規制

GHS分類

危険有害性情報

安全と保護具

安全データ

化学と産業

用途と製造

応用分野

上流・下流製品情報

上流原料

下流製品

サプライヤー50 社

関連反応

関連ノート