2,6-difluorobenzene-1-carbothioamide, 95%

Name: 2,6-difluorobenzene-1-carbothioamide
Brand: Chempure
Rating: 4 (1 reviews)

()

CAS Number

60230-33-3

Molecular Weight

173.1831

Formula

C7H5F2NS

Total BLR Stock

Bulk Quote

Pack Size	Qty	Lead Time	Price	Quantity

About this item

IUPAC name	2,6-difluorobenzenecarbothioamide
canonical smiles	C1=CC(=C(C(=C1)F)C(=S)N)F
inchi	InChI=1S/C7H5F2NS/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)
inchi key	CDNBRWKDBSHYFJ-UHFFFAOYSA-N
molecular formula	C7H5F2NS
synonyms	2,6-DIFLUOROBENZENE-1-CARBOTHIOAMIDE 60230-33-3 2,6-Difluorobenzothioamide 2,6-difluorobenzenecarbothioamide Benzenecarbothioamide, 2,6-difluoro-

Computed Properties

Molecular Weight:	173.19 g/mol
XLogP3:	0.8
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	1
Exact Mass:	173.01107666 g/mol
Monoisotopic Mass:	173.01107666 g/mol
Topological Polar Surface Area:	58.1 Å²
Heavy Atom Count:	11
Formal Charge:	0
Complexity:	153
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (100%) Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

;

About this item

Documentation

Certificate of Analysis

Lot Number

Require a Sample Certificate of Analysis (COA) ?

CAS #

*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

Product No: AW7779

2,6-difluorobenzene-1-carbothioamide, 95%

Product No: AW7779

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: AW7779

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?