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5-[3,5-Bis(trifluoromethyl)phenyl]-2H-tetrazole

5-[3,5-Bis(trifluoromethyl)phenyl]-2H-tetrazole structure

CAS No:
175205-09-1
Formula:
C9H4F6N4
Chemical Name:
5-[3,5-Bis(trifluoromethyl)phenyl]-2H-tetrazole
Synonyms:
2H-Tetrazole,5-[3,5-bis(trifluoromethyl)phenyl]-;1H-Tetrazole,5-[3,5-bis(trifluoromethyl)phenyl]-;5-[3,5-Bis(trifluoromethyl)phenyl]-2H-tetrazole

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5-[3,5-Bis(trifluoromethyl)phenyl]-2H-tetrazole Basic Attributes

Molecular Weight：

282.15

Exact Mass：

282.15

DSSTox ID：

DTXSID50347331

HScode：

2933990090

Characteristics

PSA：

54.5

XLogP3：

2.90430

Appearance：

white to beige

Density：

1.569±0.06 g/cm3(Predicted)

Melting Point：

177-180°C

Boiling Point：

298.2±50.0 °C(Predicted)

Flash Point：

5℃

Water Solubility：

DMSO: soluble20mg/mL, clear

Storage Conditions：

2-8°C

Safety Information

Transport codes：

UN 2811 6.1 / PGIII

wgk germany：

hazard class code：

25-36/37/38

safety instructions：

26-45

Marks：

Xi,T

Hazard note：

Irritant

Precautionary statement(s)：

P210-P305 + P351 + P338

Hazard Statements：

H225-H302 + H332-H315-H319

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:282.15
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:1
Exact Mass:282.03401512
Monoisotopic Mass:282.03401512
Topological Polar Surface Area:54.5
Heavy Atom Count:19
Complexity:295
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-[3,5-Bis(trifluoromethyl)phenyl]-2H-tetrazole

Basic Attributes
Characteristics
Safety Information
Computed Properties

5-[3,5-Bis(trifluoromethyl)phenyl]-2H-tetrazole

SDS

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