α,α,α-Trifluor-o-toluidin

2-(Trifluoromethyl)aniline

HCID 6922CAS 88-17-5
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Grundinformationen

Standard-SMILES
Nc1ccccc1C(F)(F)F
InChIKey
VBLXCTYLWZJBKA-UHFFFAOYSA-N
Summenformel
C7H6F3N
Durchschnittliche Molmasse
161,12 g/mol
Monoisotopische Masse
161,04523385

Überblick

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.

Namen und Bezeichner

Bevorzugter Name
2-(Trifluoromethyl)aniline
IUPAC
2-(trifluoromethyl)aniline
Lokaler Name
α,α,α-Trifluor-o-toluidin
Englischer Name
2-Aminobenzotrifluoride
Summenformel
C7H6F3N
Molmasse
161.12

Namen und Synonyme

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,4
Polarare Oberfläche (TPSA)
26 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
0
Schwere Atome
11

Experimentelle und physikochemische Eigenschaften

Chemical ClassesFlammable agents - 2nd degree
PFAS · 2 Einträge

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.

Physikochemische Eigenschaften

Schmelzpunkt
34 °C · 34 °C(lit.)
Siedepunkt
170 · 170-173 °C(lit.)
Dichte
1.282 g/mL · 1.282 g/mL at 25 °C(lit.)
Dampfdruck
2.1 · 2.1-12.1hPa at 20-50℃
Brechungsindex
20 · n20/D 1.481(lit.)
Flammpunkt
131 °F · 131 °F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.

Gefahrenhinweise

Regulatory Information · 3 Einträge

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 Einträge

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

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

Health Hazards · 2 Einträge

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

Sicherheit und Schutzausrüstung

Fire FightingExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Accidental Release Measures · 2 Einträge

· 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 Einträge

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 Einträge

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

Immediate precautionary measure

Sicherheitsdaten

wgk
1
tsca
TSCA listed
ridadr
UN 2942
hs_code
29214300
RTECS-Nr.
XU9210000
risk_code
10-23/24/25-33-36/37/38-22-20/21/22

Chemie und Industrie

Verwendung und Herstellung

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

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

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

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