4-Amino-3,5-dinitrobenzotrifluoride

CAS
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Purity
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CAS
445-66-9
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM445669

Product Name

4-Amino-3,5-dinitrobenzotrifluoride

Structure

Structure

CAS

445-66-9

Category

Amines

Synonyms

559520_ALDRICH, 4-Amino-3,5-dinitrobenzotrifluoride, CID9936, ZINC03874102, 2,6-Dinitro-4-(trifluoromethyl)benzenamine, Benzenamine, 2,6-dinitro-4-(trifluoromethyl)-, ST5032053, 2,6-DINITRO-4-(TRIFLUOROMETHYL)-BENZENAMINE, 445-66-9

IUPAC Name

2,6-dinitro-4-(trifluoromethyl)aniline

Molecular Weight

251.12

Molecular Formula

C₇H₄F₃N₃O₄

Canonical SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])C(F)(F)F

InChI Key

VACNDKUQVLNNLD-UHFFFAOYSA-N

Boiling Point

313.1ºC at 760 mmHg

Melting Point

144-149ºC(lit.)

Flash Point

143.1ºC

Density

1.686 g/cm³

Exact Mass

251.01500

Hazard Statements

H302

H-Bond Acceptor

8

H-Bond Donor

1

RIDADR

NONH for all modes of transport

Safety Description

26-36

Symbol

GHS07

WGK Germany

3

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of 4-Amino-3,5-dinitrobenzotrifluoride?

The molecular formula of 4-Amino-3,5-dinitrobenzotrifluoride is C7H4F3N3O4.

What is the molecular weight of 4-Amino-3,5-dinitrobenzotrifluoride?

The molecular weight of 4-Amino-3,5-dinitrobenzotrifluoride is 251.12 g/mol.

What is the IUPAC name of 4-Amino-3,5-dinitrobenzotrifluoride?

The IUPAC name of 4-Amino-3,5-dinitrobenzotrifluoride is 2,6-dinitro-4-(trifluoromethyl)aniline.

What is the InChI of 4-Amino-3,5-dinitrobenzotrifluoride?

The InChI of 4-Amino-3,5-dinitrobenzotrifluoride is InChI=1S/C7H4F3N3O4/c8-7(9,10)3-1-4(12(14)15)6(11)5(2-3)13(16)17/h1-2H,11H2.

What is the InChIKey of 4-Amino-3,5-dinitrobenzotrifluoride?

The InChIKey of 4-Amino-3,5-dinitrobenzotrifluoride is VACNDKUQVLNNLD-UHFFFAOYSA-N.

What is the Canonical SMILES of 4-Amino-3,5-dinitrobenzotrifluoride?

The Canonical SMILES of 4-Amino-3,5-dinitrobenzotrifluoride is C1=C(C=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])C(F)(F)F.

What is the CAS number of 4-Amino-3,5-dinitrobenzotrifluoride?

The CAS number of 4-Amino-3,5-dinitrobenzotrifluoride is 445-66-9.

What is the European Community (EC) number of 4-Amino-3,5-dinitrobenzotrifluoride?

The European Community (EC) number of 4-Amino-3,5-dinitrobenzotrifluoride is 626-240-1.

What is the UNII of 4-Amino-3,5-dinitrobenzotrifluoride?

The UNII of 4-Amino-3,5-dinitrobenzotrifluoride is P9BDZ5UC73.

Is 4-Amino-3,5-dinitrobenzotrifluoride canonicalized?

Yes, 4-Amino-3,5-dinitrobenzotrifluoride is canonicalized.

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