3-Chloro-5-methylphenol
Basic information
- CAS
58291-77-3- Standard SMILES
Cc1cc(O)cc(Cl)c1- InChIKey
QXHZLCYUCTZZNL-UHFFFAOYSA-N- Molecular formula
- C7H7ClO
- Average molar mass
- 142.58 g/mol
- Monoisotopic mass
- 142.0185425
Names & identifiers
- Preferred name
- 3-Chloro-5-methylphenol
- IUPAC
- 3-chloro-5-methylphenol
- English name
- 3-Chloro-5-methylphenol
- Molecular formula
- C7H7ClO
- Molecular weight
- 142.58
Names & synonyms
3-chloro-5-methylphenol58291-77-3DTXSID20274544RefChem:278421DTXCID10226017877-674-55-Chloro-m-cresolMFCD08234650Phenol, 3-chloro-5-methyl-3-chloro-5-methyl-phenolSCHEMBL12503SCHEMBL2112953
Show more names
3-Chloro-5-methylphenol 98%
SCHEMBL3341894SCHEMBL4341400SCHEMBL17205990SCHEMBL18203766SCHEMBL304130153-CHLORO-5-HYDROXYTOLUENECL9152AKOS006284248
Database identifiers
- CAS
58291-77-3- PubChem CID
- 14854
- DTXSID
DTXSID20274544- EC Number
- 877-674-5
- Nikkaji
- J141.558A
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 94.9
Physicochemical properties
- Boiling point
- 230 · 230.0±20.0 °C(Predicted)
- Density
- 1.228 · 1.228±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 9.11 · 9.11±0.10(Predicted)
- form
- solid
- color
- White to yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
- HS Code
- 2907199090 · 2907199090
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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
- hs_code
- 2907199090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P280-P305+P351+P338-P310
Suppliers
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Related reactions
3 records
Compound notes
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