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3-AMINOBENZOTRIFLUORIDE

3-AMINOBENZOTRIFLUORIDE structure

CAS No:
5098-16-8
Formula:
C7H6F3N
Chemical Name:
3-AMINOBENZOTRIFLUORIDE
Synonyms:
AKOS 91144;NSC 133684;AURORA KA-675;AKOS BBS-00003653;TIMTEC-BB SBB003954;LABOTEST-BB LTBB000739;M-AMINOBENZOTRIFLUORIDE;M-AMINO-TRIFLUOROTOLUENE;M-(TRIFLUOROMETHYL)ANILINE;A,A,A-TRIFLUORO-M-TOLUIDINE
Categories:
Organic Chemistry > Organic Fluorine Compound

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3-AMINOBENZOTRIFLUORIDE Basic Attributes

Molecular Weight：

161.12

Exact Mass：

123.04300

EC Number：

202-643-4

NSC Number：

133684

DSSTox ID：

DTXSID20299919

HScode：

2934999090

Characteristics

PSA：

75.8

XLogP3：

Density：

1.29 g/mL at 25ºC(lit.)

Melting Point：

5-6 °C(lit.)

Boiling Point：

187 °C(lit.)

Flash Point：

185 °F

Refractive Index：

n20/D 1.480(lit.)

Vapor Pressure：

0.3 mm Hg ( 20 °C)

Safety Information

Transport codes：

UN 2948 6.1/PG 2

wgk germany：

hazard class code：

22-24-26-33

safety instructions：

36/37/39-45

RTECS Number：

XU9180000

Marks：

T+

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

3-AMINOBENZOTRIFLUORIDE Use and Manufacturing

PREPARATION 1195-Bromo-2-meth l-oxazole-4-carbonitrileA solution of To a solution of copper (II) dibromide (544 mg, 2.43 7 mmol) in anhydrous acetonitrile (5 ml) was added tert-butyl nitrite (90%, 112 jil, 1.340 mmol) then the reaction was stirred for 5 mm at ambient temperature. A suspension of

Computed Properties

Molecular Weight:123.11
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:123.043261792
Monoisotopic Mass:123.043261792
Topological Polar Surface Area:75.8
Heavy Atom Count:9
Complexity:150
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 5098-16-8

Grade: Pharmaceutical Grade

Content: 99%

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