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2,4-Difluorobenzenethiol

2,4-Difluorobenzenethiol structure

CAS No:
1996-44-7
Formula:
C6H4F2S
Chemical Name:
2,4-Difluorobenzenethiol
Synonyms:
2,4 difluor thiophenol; 2,4-Difluorothiophenol; 2,4-Difluor-phenylmercaptan; 2,4-difluorobenzene thiol; 2,4-difluorobenzene-1-thiol;
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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2,4-Difluorobenzenethiol Basic Attributes

Molecular Weight：

146.15800

Exact Mass：

146.00017763

DSSTox ID：

DTXSID70371815

HScode：

2930909090

Characteristics

PSA：

38.80000

XLogP3：

2.25350

Appearance：

Clear colourless liquid

Density：

1.29

Boiling Point：

59ºC (20 mmHg)

Flash Point：

121 °F

Refractive Index：

1.5235

Vapor Pressure：

3.9mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 1993

wgk germany：

hazard class code：

R10; R36/37/38

safety instructions：

S16-S23-S26-S36/37/39

Marks：

F; Xi

GHS Classification：

|Warning|H226 (97.78%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:146.16
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:146.00017763
Monoisotopic Mass:146.00017763
Topological Polar Surface Area:1
Heavy Atom Count:9
Complexity:97.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes