4-Chlorothiobenzamide supplier

Name
4-Chlorothiobenzamide
EINECS
CAS No. 2521-24-6
Article Data58
CAS DataBase
Density 1.341 g/cm₃
Solubility Insoluble in water.
Melting Point 123-125ºC
Formula C7H6 Cl N S
Boiling Point 275.6 °C at 760 mmHg
Molecular Weight 171.65
Flash Point 120.5 °C
Transport Information
Appearance solid
Safety 37/39-26
Risk Codes R20/22;R36/37/38
Molecular Structure
Hazard Symbols
Synonyms Benzamide,p-chlorothio- (7CI,8CI);4-Chlorobenzene-1-carbothioamide;4-Chlorobenzenecarbothioamide;4-Chlorothiobenzamide;NSC 179795;NSC 195318;p-Chlorobenzothiamide;p-Chlorothiobenzamide;
PSA 58.11000
LogP 2.67450

4-Chlorothiobenzamide Specification

1.Introduction of 4-Chlorothiobenzamide

The 4-Chlorothiobenzamide, with its CAS NO.2521-24-6, is a kind of crystalline powder. Its Synonyms are Benzamide, p-chlorothio- (8CI) ; Benzenecarbothioamide, 4-chloro- (9CI) ; p-Chlorobenzothiamide and p-Chlorothiobenzamide .4-Chlorothiobenzamide shoud be stored in shady and cool warehouse.

2. Properties of 4-Chlorothiobenzamide

(1) XLogP3 2.4 (2) H-Bond Donor 1 (3) H-Bond Acceptor 1
(4) Rotatable Bond Count 1 (5) Tautomer Count 2 (6) Exact Mass 170.990948
(7) MonoIsotopic Mass 170.990948 (8) Topological Polar Surface Area 58.1 (9) Complexity 130
(10) Covalently-Bonded Unit Count 1 (11) Feature 3D Acceptor Count 1 (12) Feature 3D Ring Count 1
(13) Effective Rotor Count 1 (14) Conformer Sampling RMSD 0.4 (15) CID Conformer Count 3

3.Structure descriptors of 4-Chlorothiobenzamide

IUPAC Name: 4-chlorobenzenecarbothioamide

InChI: InChI=1S/C7H6ClNS/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)

InChIKey: OKPUICCJRDBRJT-UHFFFAOYSA-NCanonical SMILES : C1=CC(=CC=C1C(=S)N)Cl

4.Safety information of 4-Chlorothiobenzamide

Hazard Codes: Harmful , Irritant
Risk Statements: 36/37/38-20/22-43-22
R36/37/38:Irritating to eyes, respiratory system and skin.
R20/22:Harmful by inhalation and if swallowed.
R43:May cause sensitization by skin contact.
R22:Harmful if swallowed.
Safety Statements: 37/39-26-36/37
S37/39:Wear suitable gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37:Wear suitable protective clothing and gloves.
RIDADR: UN2811
Hazard Note: Irritant
HazardClass: 6.1

Product Name

4-Chlorothiobenzamide

4-Chlorothiobenzamide Specification

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