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3-(Trifluoromethyl)benzenesulfonamide

3-(Trifluoromethyl)benzenesulfonamide structure

CAS No:
672-58-2
Formula:
C7H6F3NO2S
Chemical Name:
3-(Trifluoromethyl)benzenesulfonamide
Synonyms:
IFLAB-BB F1084-0062;3-Sulphamoylbenzotrifluoride;3-(TRIFLUOROMETHYL)BENZENESULFONAMIDE;3-(TRIFLUOROMETHYL)BENZENESULPHONAMIDE;3-Sulphamoylbenzotrifluoride, 3-(Aminosulphonyl)benzotrifluoride

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3-(Trifluoromethyl)benzenesulfonamide Basic Attributes

Molecular Weight：

225.185

Exact Mass：

225.007126

NSC Number：

54561

DSSTox ID：

DTXSID70288176

HScode：

2935009090

Characteristics

PSA：

68.5

XLogP3：

1.4

Density：

1.5±0.1 g/cm3

Melting Point：

122-126 °C(lit.)

Flash Point：

143.9±30.7 °C

Refractive Index：

1.494

Safety Information

Packing level：

Transport codes：

2811

wgk germany：

hazard class code：

R22

safety instructions：

S22-S24/25

Marks：

Xi: Irritant;

Precautionary statement(s)：

P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 8 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:225.19
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:225.00713409
Monoisotopic Mass:225.00713409
Topological Polar Surface Area:68.5
Heavy Atom Count:14
Complexity:293
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(Trifluoromethyl)benzenesulfonamide

Basic Attributes
Characteristics
Safety Information
Computed Properties

3-(Trifluoromethyl)benzenesulfonamide

SDS

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