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Home > Encyclopedia > 4-Chlorophenyl isothiocyanate

4-Chlorophenyl isothiocyanate

4-Chlorophenyl isothiocyanate structure

4-Chlorophenyl isothiocyanate 

structure
  • CAS No:

    2131-55-7

  • Formula:

    C7H4ClNS

  • Chemical Name:

    4-Chlorophenyl isothiocyanate

  • Synonyms:

    Benzene,1-chloro-4-isothiocyanato-;Isothiocyanic acid,p-chlorophenyl ester;1-Chloro-4-isothiocyanatobenzene;4-Chlorophenyl isothiocyanate;Sch 20350;p-Chlorophenyl isothiocyanate;NSC 20213;1869985-70-5;2058089-23-7;2124236-49-1

  • Categories:

    Chemical Reagents  >  Organic Reagents

Description

light yellow crystalline mass

4-Chlorophenyl isothiocyanate Basic Attributes

169.63

169.63

471610

218-358-3

20213

DTXSID70175577

29309090

Characteristics

44.4

3.91

light yellow crystalline mass

1.2±0.1 g/cm3

46 °C

249.5 °C

110 °C

1.594

Refrigerator (+4°C)

0.0347mmHg at 25°C

Safety Information

III

8

UN 2206 6.1/PG 2

3

23/24-36/37/38-42-42/43-23/24/25

22-26-36/37/39-45-36/37

NX8473000

T

P261-P280-P301 + P310-P305 + P351 + P338-P311

H301 + H311 + H331-H315-H317-H319-H334-H335

|Danger|H301 (89.13%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P285, P301+P310, P302+P352, P304+P340, P304+P341, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P333+P313, P337+P313, P342+P311, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

1-chloro-4-isothiocyanatobenzene

Computed Properties

Molecular Weight:169.63
XLogP3:3.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:168.9752980
Monoisotopic Mass:168.9752980
Topological Polar Surface Area:44.4
Heavy Atom Count:10
Complexity:146
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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