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3,4-DIAMINOBENZOTRIFLUORIDE

3,4-DIAMINOBENZOTRIFLUORIDE structure

CAS No:
368-71-8
Formula:
C7H7F3N2
Chemical Name:
3,4-DIAMINOBENZOTRIFLUORIDE
Synonyms:
4-TFMPD;4-trifluoromethyl-1,2-phenylenediamine;4-trifluoromethyl-o-phenylenediamine;3,4-Diaminobenzotrifluoride;4-(Trifluoromethyl)benzene-1,2-diamine;4-(trifluoromethyl)-1,2-phenylenediamine;4-(Trifluoromethyl)-o-phenylenediamine;1,2-Benzenediamine, 4-(trifluoromethyl)-;3,4-diamino-benzotrifluoride
Categories:
Organic Chemistry > Amides

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Description

white to light yellow crystal powder

3,4-DIAMINOBENZOTRIFLUORIDE Basic Attributes

Molecular Weight：

176.14

Exact Mass：

176.056137

DSSTox ID：

DTXSID40190272

HScode：

2921590090

Characteristics

PSA：

XLogP3：

1.1

Appearance：

Grey to brown solid

Density：

1.4±0.1 g/cm3

Melting Point：

56-58 °C

Boiling Point：

252.7°C at 760 mmHg

Flash Point：

111.2±18.0 °C

Refractive Index：

1.535

Water Solubility：

Miscible with water.

Safety Information

hazard class code：

R20/21/22;R36/37/38

safety instructions：

S36/37/39-S26

Marks：

Xn:Harmful;

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (12.5%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 8 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

4-TFMPD

3,4-DIAMINOBENZOTRIFLUORIDE Use and Manufacturing

Synthesis of Compound N.6. A mixture of 2-nitro-4-trifluoromethyl-phenylamine (240 g, 1.16 mol) and Raney Ni (10 g) in methanol (2400 mL) was stirred at RT under hydrogen (50 psi) overnight. The reaction mixture was filtered and concentrated to provide the compound N.6 (197.7 g, 96.4percent). A mixture of 2-nitro-4-trifluoromethyl-phenylamine (240 g, 1.16 mol) and Raney Ni (10 g) in methanol (2400 mL) was stirred at RT under hydrogen (50 psi) overnight. The reaction mixture was filtered and concentrated to provide the compound N.6 (197.7 g, 96.4percent). 4-Trifluoromethyl-1, 2-phenylenediamine

Computed Properties

Molecular Weight:176.14
XLogP3:1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Exact Mass:176.05613272
Monoisotopic Mass:176.05613272
Topological Polar Surface Area:52
Heavy Atom Count:12
Complexity:157
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3,4-DIAMINOBENZOTRIFLUORIDE

CAS No.: 368-71-8

Grade: industrial Grade

Content: 98%

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3,4-Diaminobenzotrifluoride

CAS No.: 368-71-8

Content: 99.00%

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Guide of 3,4-DIAMINOBENZOTRIFLUORIDE

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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3,4-DIAMINOBENZOTRIFLUORIDE

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