2-アミノベンゾトリフルオリド
2-(Trifluoromethyl)aniline
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基本情報
- CAS
88-17-5- 標準SMILES
Nc1ccccc1C(F)(F)F- InChIKey
VBLXCTYLWZJBKA-UHFFFAOYSA-N- 分子式
- C7H6F3N
- 平均分子量
- 161.12 g/mol
- 単同位体質量
- 161.04523385
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補完中
- XLogP
- 2.4
- 極性表面積
- 26 Ų
- 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
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
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
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
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
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
· Combustible material: may burn but does not ignite readily.
Health Hazards
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 Group
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
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