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3-Chlorocatechol

3-Chlorocatechol structure

3-Chlorocatechol 

structure
  • CAS No:

    4018-65-9

  • Formula:

    C6H5ClO2

  • Chemical Name:

    3-Chlorocatechol

  • Synonyms:

    1,2-Benzenediol,3-chloro-;Pyrocatechol,3-chloro-;3-Chloro-1,2-benzenediol;3-Chlorocatechol;3-Chloropyrocatechol;3-Chloro-1,2-dihydroxybenzene

Description

ChEBI: A chlorocatechol that is catechol in which the hydrogen adjacent to one of the hydroxy groups is replaced by a chlorine.


3-chlorocatechol is a chlorocatechol that is catechol in which the hydrogen adjacent to one of the hydroxy groups is replaced by a chlorine. It is a member of monochlorobenzenes and a chlorocatechol.

3-Chlorocatechol Basic Attributes

144.554

144.56

0Z3E1G971E

DTXSID80193181

Characteristics

40.5

1.9

1.5±0.1 g/cm3

48.5 °C

110-111 °C @ Press: 11 Torr

97.1±21.8 °C

1.629

0.0299mmHg at 25°C

Safety Information

23/24/25-36/37/38

26-36/37/39

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P501

H302

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)

3-chlorocatechol

Computed Properties

Molecular Weight:144.55
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Exact Mass:143.9978071
Monoisotopic Mass:143.9978071
Topological Polar Surface Area:40.5
Heavy Atom Count:9
Complexity:97.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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