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9H-Thioxanthen-9-one,2-(1-methylethyl)-(CAS No. 5495-84-1)

9H-Thioxanthen-9-one,2-(1-methylethyl)- C16H14OS (cas 5495-84-1) Molecular Structure

5495-84-1 Structure

Identification and Related Records

【Name】
9H-Thioxanthen-9-one,2-(1-methylethyl)-
【CAS Registry number】
5495-84-1
【Synonyms】
Thioxanthen-9-one,2-isopropyl- (7CI,8CI)
2-ITX
2-Isopropyl-9H-thioxanthen-2-one
2-Isopropylthioxanthen-9-one
ITX
Photocure ITX-P
Quantacure 597
Quantacure 659
Quantacure ITX
Speedcure ITX
【EINECS(EC#)】
226-827-9
【Molecular Formula】
C16H14OS (Products with the same molecular formula)
【Molecular Weight】
254.35
【Inchi】
InChI=1/C16H14OS/c1-10(2)11-7-8-15-13(9-11)16(17)12-5-3-4-6-14(12)18-15/h3-10H,1-2H3
【Canonical SMILES】
CC(C)C1=CC2=C(C=C1)SC3=CC=CC=C3C2=O
【MOL File】
5495-84-1.mol

Chemical and Physical Properties

【Appearance】
Slightly yellow crystalline powder
【Density】
1.199g/cm3
【Melting Point】
76 °C
【Boiling Point】
398.9°Cat760mmHg
【Refractive Index】
1.638
【Flash Point】
217°C
【Computed Properties】
Molecular Weight:254.34676 [g/mol]
Molecular Formula:C16H14OS
XLogP3:5.1
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:1
Exact Mass:254.076536
MonoIsotopic Mass:254.076536
Topological Polar Surface Area:42.4
Heavy Atom Count:18
Formal Charge:0
Complexity:325
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
Feature 3D Acceptor Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:3
Effective Rotor Count:1
Conformer Sampling RMSD:0.6
CID Conformer Count:2

Safety and Handling

【Hazard Codes】
Xn: Harmful;
【Risk Statements】
22
【Safety Statements 】
22
【Safety】

Safety Information of?2-Isopropylthioxanthone (CAS NO.5495-84-1):
Hazard Codes: Xn
Risk Statements: 22
22: Harmful if swallowed?

【Specification】

?2-Isopropylthioxanthone , its cas register number is 5495-84-1. It also can be called?2-Isopropyl-9H-thioxanthen-9-one .

Use and Manufacturing

【Usage】
A thioxanthone derivative useful as photoinitiators.

Biomedical Effects and Toxicity

【Therapeutic Uses】
A thioxanthone derivative useful as photoinitiators.

Supplier Location

Top Suppliers

Diamond member Hangzhou Dayangchem Co., Ltd.
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Telephone:86-27-87465837
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Telephone:0086-531-58773055
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Nanjing Norris-Pharm Technology Co., Ltd.
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Business Type:Manufacturer
Telephone:86-25-66112885

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