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1-(bromomethyl)-2-(trifluoromethoxy)benzene

1-(bromomethyl)-2-(trifluoromethoxy)benzene structure

CAS No:
198649-68-2
Formula:
C8H6BrF3O
Chemical Name:
1-(bromomethyl)-2-(trifluoromethoxy)benzene
Synonyms:
2-(TrifluoroMethoxy)benzyl BroMide; 1-(Bromomethyl)-2-(trifluoromethoxy)benzene; Trifluoromethoxybenzyl bromide; α-Bromo-2-(trifluoromethoxy)toluene;
Categories:
Organic Chemistry > Coordination Complexes

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1-(bromomethyl)-2-(trifluoromethoxy)benzene Basic Attributes

Molecular Weight：

255.03200

Exact Mass：

253.95541

DSSTox ID：

DTXSID80380438

HScode：

2909309090

Characteristics

PSA：

9.23000

XLogP3：

3.48010

Density：

1.58g/cm3

Melting Point：

32ºC

Boiling Point：

191.7ºC

Flash Point：

86.6ºC

Refractive Index：

1.4812

Vapor Pressure：

0.704mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 1760

hazard class code：

R34; R36

safety instructions：

S26-S36/37/39-S45

Marks：

GHS Classification：

|Danger|H290 (16.67%): May be corrosive to metals [Warning Corrosive to Metals]|P234, P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P337+P313, P363, P390, P403+P233, P404, P405, and P501|Aggregated GHS information provided by 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:255.03
XLogP3:3.8
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:253.95541
Monoisotopic Mass:253.95541
Topological Polar Surface Area:9.2
Heavy Atom Count:13
Complexity:160
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 198649-68-2

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