Basic information
- CAS
31934-88-0- Standard SMILES
Cc1cc(Cl)cc(O)c1O- InChIKey
DEMKYMVOIBWYAM-UHFFFAOYSA-N- Molecular formula
- C7H7ClO2
- Average molar mass
- 158.58 g/mol
- Monoisotopic mass
- 158.0134572
Overview
5-chloro-3-methylcatechol is a chlorocatechol that iscatechol in which the hydrogens at positions 3 and 5 have been replaced by methyl and chlorine, respectively. It is a chlorocatechol, a methylcatechol and a member of monochlorobenzenes.
Names & identifiers
- Preferred name
- 5-Chloro-3-methyl-1,2-benzenediol
- IUPAC
- 5-chloro-3-methylbenzene-1,2-diol
- English name
- 1,2-Benzenediol,5-chloro-3-methyl-
- Molecular formula
- C7H7ClO2
- Molecular weight
- 158.58228
Names & synonyms
5-Chloro-3-methylcatechol31934-88-05-CHLORO-3-METHYL-1,2-BENZENEDIOLCHEBI:28288DTXSID20185767RefChem:102342DTXCID601082585-chloro-3-methylbenzene-1,2-diol1,2-Benzenediol, 5-chloro-3-methyl-5-Chloro-3-methyl-catechol3-methyl-5-chlorocatechol1,2-Benzenediol,5-chloro-3-methyl-
Show more names
Catechol, 5-chloro-3-methyl-C03591SCHEMBL2933421GBA93488AKOS022635875EN300-1599488Q27103610
Database identifiers
- CAS
31934-88-0- PubChem CID
- 36022
- DTXSID
DTXSID20185767- ChEBI
CHEBI:28288- EC Number
- 881-794-3
- Nikkaji
- J1.601.545H
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 118
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 312 · H312-H335-H332-H302-H315-H319
- Precautionary statements
- 280 · P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H312-H335-H332-H302-H315-H319
- Precautionary statements
- P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers2 total
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Additional notes
DefinitionChEBI: 5-chloro-3-methylcatechol is a chlorocatechol that iscatechol in which the hydrogens at positions 3 and 5 have been replaced by methyl and chlorine, respectively. It is a chlorocatechol, a member of monochlorobenzenes and a methylcatechol.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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