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2-Amino-5-trifluoromethylbenzonitrile

2-Amino-5-trifluoromethylbenzonitrile structure

CAS No:
6526-08-5
Formula:
C8H5F3N2
Chemical Name:
2-Amino-5-trifluoromethylbenzonitrile
Synonyms:
4-Amino-3-cyanobenzotrifluoride;2-Amino-5-trifluoromethylbenzonitrile;Benzonitrile, 2-aMino-5-(trifluoroMethyl)-;4-Amino-3-cyanobenzotrifluoride, 2-Cyano-4-(trifluoromethyl)aniline
Categories:
Organic Chemistry > Organic Fluorine Compound

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2-Amino-5-trifluoromethylbenzonitrile Basic Attributes

Molecular Weight：

186.13

Exact Mass：

186.040482

DSSTox ID：

DTXSID30504864

HScode：

2926909090

Characteristics

PSA：

49.8

XLogP3：

2.4

Density：

1.4±0.1 g/cm3

Melting Point：

72-74 °C(Solv: benzene (71-43-2))

Boiling Point：

95-115 C

Flash Point：

116.2±27.3 °C

Refractive Index：

1.500

Safety Information

Marks：

Precautionary statement(s)：

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

Hazard Statements：

H301+H311+H331

GHS Classification：

|Danger|H301+H311+H331 (50%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P310, P302+P352, 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 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:186.13
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Exact Mass:186.04048265
Monoisotopic Mass:186.04048265
Topological Polar Surface Area:49.8
Heavy Atom Count:13
Complexity:227
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2-Amino-5-trifluoromethylbenzonitrile

CAS No.: 6526-08-5

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Guide of 2-Amino-5-trifluoromethylbenzonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties
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