3-Chloro-o-cresol
Basic information
- CAS
3260-87-5- Standard SMILES
Cc1c(O)cccc1Cl- InChIKey
WADQOGCINABPRT-UHFFFAOYSA-N- Molecular formula
- C7H7ClO
- Average molar mass
- 142.58 g/mol
- Monoisotopic mass
- 142.01854252
Names & identifiers
- Preferred name
- 3-Chloro-o-cresol
- IUPAC
- 3-chloro-2-methylphenol
- English name
- 3-Chloro-2-methylphenol
- Molecular formula
- C7H7ClO
- Molecular weight
- 142.58
Names & synonyms
3-Chloro-2-methylphenol3-Chloro-o-cresol2-Chloro-6-hydroxytoluenePhenol, 3-chloro-2-methyl-o-Cresol, 3-chloro-NSC 74916EINECS 221-861-0DTXSID80186295RefChem:93495o-Cresol, 3-chloro-(8CI)DTXCID90108786Phenol, 3-chloro-2-methyl-(9CI)
Show more names
3-Chloro-2-methylphenol 98%3-Chloro-2-methylphenol CAS NO.3260-87-52-Chloro-6-hydroxytoluene, 3-Chloro-o-cresol
221-861-03260-87-5MFCD00079738Chlor-o-kresol3-Chloro-2-methyl-phenolCL8480AKOS009327541PS-3842
Database identifiers
- CAS
3260-87-5- PubChem CID
- 14856
- DTXSID
DTXSID80186295- EC Number
- 221-861-0
- Nikkaji
- J141.557C
Properties
Computed structural properties
- XLogP
- 3.3
- 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
Experimental & physicochemical properties
DrugsPharmaceuticals
Physicochemical properties
- Melting point
- 86 °C · 86 °C
- Boiling point
- 225 °C · 225 °C
- Density
- 1.1104 · 1.1104 (rough estimate)
- refractive index
- 1.5449 · 1.5449 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- form
- powder
- pka
- 9.35 · 9.35±0.10(Predicted)
- color
- Brown
- Sensitive
- Stench
- InChI
- 1S/C7H7ClO/c1-5-6(8)3-2-4-7(5)9/h2-4,9H,1H3
- InChIKey
- WADQOGCINABPRT-UHFFFAOYSA-N
- SMILES
- Cc1c(O)cccc1Cl
- CAS DataBase Reference
- 3260 · 3260-87-5(CAS DataBase Reference)
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 (95.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (95.2%)
Safety data
- wgk
- WGK 3
- ridadr
- 3437
- hs_code
- 29081990
- risk_code
- 21/22-41-43-50-38-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36/37/39-28
- hazard_class
- IRRITANT, IRRITANT-HARMFUL
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 2Eye Irrit. 2
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
31 records
Compound notes
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