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HCID 2737713Erstellt: 4. November 2026

3-Amino-5-methylbenzotrifluoride

3-Methyl-5-(trifluoroMethyl)benzenaMine · 3-AMINO-5-METHYLBENZOTRIFLUORIDE · 3-METHYL-5-(TRIFLUOROMETHYL)ANILINE · 3-methyl-5-thifluoromethylaniline · 5-Methyl-3-(trifluoromethyl)aniline · 3-Amino-5-methylbenzotrifluoride 97% · 3-methyl-5-trifluoromethylaniline(MTA) · 3-Amino-5-methylbenzotrifluoride, 97+%

https://huagongshe.com/de/chemical/2737713

Molekülstruktur von 3-Amino-5-methylbenzotrifluoride

Identifikatoren & physikalische Daten

CAS No.	96100-12-8
Summenformel	C8H8F3N
Durchschnittliche Molmasse	175,15 g/mol
Monoisotopische Masse	175,06088392 g/mol
SMILES	Cc1cc(N)cc(C(F)(F)F)c1
InChIKey	WYDJMBLMXGCHOL-UHFFFAOYSA-N
PubChem CID	2737713
EC No.	816-381-9
DTXSID	DTXSID90372223

Chemische & physikalische Eigenschaften

XLogP	3,1
Polarare Oberfläche (TPSA)	26
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	0
Schwere Atome	12
Formalladung	0
Komplexität	155
Siedepunkt	203.3±40.0 °C(Predicted)
Dichte	1.237±0.06 g/cm3(Predicted)
Lagerbedingungen	under inert gas (nitrogen or Argon) at 2–8 °C
pKa (Säurekonstante)	3.50±0.10(Predicted)
Aggregatzustand	solid
Farbe	Off White
CAS Datenbank	96100-12-8(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH301+H311 (33.3%): Toxic if swallowed or in contact with skin [Danger Acute toxicity, oralacute toxicity, dermal]P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 3 (33.3%)
UN-Transportnummer	2811
Zollcode	2921490090
R-Sätze (R)	23/24/25
Gefahrensymbole	T
hazard_note	Toxic
Sicherheitshinweise (S)	23-26-28-36/37/39-45

3-Amino-5-methylbenzotrifluoride

CAS No.

96100-12-8

Summenformel

C8H8F3N

Durchschnittliche Molmasse

175,15 g/mol

Monoisotopische Masse

175,06088392 g/mol

SMILES

Cc1cc(N)cc(C(F)(F)F)c1

InChIKey

WYDJMBLMXGCHOL-UHFFFAOYSA-N

PubChem CID

2737713

EC No.

816-381-9

DTXSID

DTXSID90372223

Chemische & physikalische Eigenschaften

XLogP

3,1

Polarare Oberfläche (TPSA)

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

155

Siedepunkt

203.3±40.0 °C(Predicted)

Dichte

1.237±0.06 g/cm3(Predicted)

Lagerbedingungen

under inert gas (nitrogen or Argon) at 2–8 °C

pKa (Säurekonstante)

3.50±0.10(Predicted)

Aggregatzustand

solid

Farbe

Off White

CAS Datenbank

96100-12-8(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung

DangerH301+H311 (33.3%): Toxic if swallowed or in contact with skin [Danger Acute toxicity, oralacute toxicity, dermal]P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard Classes and Categories

Acute Tox. 3 (33.3%)

UN-Transportnummer

2811

Zollcode

2921490090

R-Sätze (R)

23/24/25

Gefahrensymbole

hazard_note

Toxic

Sicherheitshinweise (S)

23-26-28-36/37/39-45