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4-METHOXYCARBONYLPHENYLISOTHIOCYANATE

4-METHOXYCARBONYLPHENYLISOTHIOCYANATE structure

4-METHOXYCARBONYLPHENYLISOTHIOCYANATE 

structure
  • CAS No:

    3662-78-0

  • Formula:

    C9H7NO2S

  • Chemical Name:

    4-METHOXYCARBONYLPHENYLISOTHIOCYANATE

  • Synonyms:

    Methyl4-isothiocyanatobenzoate;4-METHOXYCARBONYLPHENYLISOTHIOCYANATE;4-Methoxycarbonylphenylisothiocyanate98%;4-ISOTHIOCYANATO-BENZOICACIDMETHYLESTER;4-METHOXYCARBONYLPHENYLISOTHIOCYANATE,98+%

4-METHOXYCARBONYLPHENYLISOTHIOCYANATE Basic Attributes

193.22200

193.02000

DTXSID80190094

2930909090

Characteristics

70.75000

2.20750

1.16g/cm3

46 °C

314.3ºC at 760mmHg

143.9ºC

1.566

Safety Information

III

6.1

2811

R20/21/22;R36/37/38

S26-S36/37/39

T: Toxic;

P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P311, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

H302

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P311, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 6 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:193.22
XLogP3:3.8
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:193.01974964
Monoisotopic Mass:193.01974964
Topological Polar Surface Area:70.8
Heavy Atom Count:13
Complexity:228
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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