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2-Nitro-4-(trifluoromethyl)benzonitrile

2-Nitro-4-(trifluoromethyl)benzonitrile structure

CAS No:
778-94-9
Formula:
C8H3F3N2O2
Chemical Name:
2-Nitro-4-(trifluoromethyl)benzonitrile
Synonyms:
Benzonitrile,2-nitro-4-(trifluoromethyl)-;p-Tolunitrile,α,α,α-trifluoro-2-nitro-;2-Nitro-4-(trifluoromethyl)benzonitrile;2-Nitro-4-trifluoromethylbenzonitrile;NSC 88323;2-Nitro-4-(trifluoromethyl)benzenecarbonitrile
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Description

yellow crystalline chunks

2-Nitro-4-(trifluoromethyl)benzonitrile Basic Attributes

Molecular Weight：

216.12

Exact Mass：

216.12

BRN：

1882259

EC Number：

212-298-1

UNII：

E6Z0MKD079

NSC Number：

88323

DSSTox ID：

DTXSID40228423

HScode：

29269090

Characteristics

PSA：

69.6

XLogP3：

1.9

Density：

1.49 g/cm3

Melting Point：

47-48 °C

Boiling Point：

156-158 °C @ Press: 18-19 Torr

Flash Point：

>230 °F

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

wgk germany：

hazard class code：

36/37/38-20/21/22-36/38

safety instructions：

26-36-36/37/39-36/37

Marks：

Xi,T,Xn

Hazard note：

Harmful

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H302 (19.15%): 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, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 47 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:216.12
XLogP3:1.9
Hydrogen Bond Acceptor Count:6
Exact Mass:216.01466183
Monoisotopic Mass:216.01466183
Topological Polar Surface Area:69.6
Heavy Atom Count:15
Complexity:301
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 778-94-9

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2-Nitro-4-(trifluoromethyl)benzonitrile

CAS No.: 778-94-9

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Guide of 2-Nitro-4-(trifluoromethyl)benzonitrile

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
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Latest News
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2-Nitro-4-(trifluoromethyl)benzonitrile

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