3,4-Dichlorocatechol

HCID 19877

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Basic information

CAS: 25167-85-5
Standard SMILES: Oc1ccc(Cl)c(Cl)c1O
InChIKey: HFSXRRTUWAPWSJ-UHFFFAOYSA-N
Molecular formula: C6H4Cl2O2
Average molar mass: 179 g/mol
Monoisotopic mass: 177.9588348

Names & identifiers

Preferred name: 3,4-Dichlorocatechol
IUPAC: 3,4-dichlorobenzene-1,2-diol
English name: 3,4-dichlorocatechol
Molecular formula: C6H4Cl2O2
Molecular weight: 179

Names & synonyms

3,4-DICHLOROCATECHOL3978-67-43,4-Dichloro-1,2-benzenediolDCBZDTXSID3073973CHEBI:90882RefChem:485979DTXCID20396793,4-dichlorobenzene-1,2-diolMFCD247134701,2-Benzenediol, 3,4-dichloro-1,2-Benzenediol, dichloro-

Show more names

dichlorocatecholDICHLORO-1,2-BENZENEDIOLSCHEMBL693753,4-dichloro-1,2benzenediolorb1690548SCHEMBL294995393,4-Dichloro-benzene-1,2-diol3,4-Dichloro-1,2-benzenediol #

Database identifiers

CAS: 25167-85-5、3978-67-4
PubChem CID: 19877
DTXSID: DTXSID3073973
ChEBI: CHEBI:90882
EC Number: 690-118-4
Nikkaji: J79.895I

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 120

Physicochemical properties

form: Solid
color: White to off-white
EPA Substance Registry System: 3 · 3,4-Dichlorocatechol (3978-67-4)

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 3 of 3 companies. For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 3 of 3 reports by companies.；There are 0 notifications provided by 0 of 3 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.