5-Chloro-2-methoxyphenyl isothiocyanate

C8H6ClNOSCAS 63429-99-2199.65 g/mol

OClNS
Aryl halideEtherIsothiocyanate

Properties

Molecular formula
C8H6ClNOS
Molar mass
199.65 g/mol
Exact mass
198.9859 Da
logP
3.08Crippen estimate
Polar surface area
21.6 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number
63429-99-2
SMILES
COC1=C(C=C(C=C1)Cl)N=C=S
InChIKey
WGLDKQQXEWPFAR-UHFFFAOYSA-N
InChI
InChI=1S/C8H6ClNOS/c1-11-8-3-2-6(9)4-7(8)10-5-12/h2-4H,1H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • 4-Chloro-2-isothiocyanato-1-methoxy-benzene

Work with 5-Chloro-2-methoxyphenyl isothiocyanate

Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue.

Same formula

Elsewhere