Basic information
- CAS
5306-98-9- Standard SMILES
Cc1ccc(Cl)cc1O- InChIKey
KKFPXGXMSBBNJI-UHFFFAOYSA-N- Molecular formula
- C7H7ClO
- Average molar mass
- 142.58 g/mol
- Monoisotopic mass
- 142.0185425
Names & identifiers
- Preferred name
- 5-Chloro-2-methylphenol
- IUPAC
- 5-chloro-2-methylphenol
- English name
- 5-Chloro-2-methylphenol
- Molecular formula
- C7H7ClO
- Molecular weight
- 142.58
Names & synonyms
5-Chloro-2-methylphenol5-Chloro-o-cresolEINECS 226-160-3NSC 157349DTXSID50201126RefChem:102326DTXCID50123617226-160-3KKFPXGXMSBBNJI-UHFFFAOYSA-N5306-98-9o-Cresol, 5-chloro-Phenol, 5-chloro-2-methyl-
Show more names
5-chloro-0-cresol5-Chloro-o-cresol >3-Chloro-6-methylphenol5-CHLORO-2-METHYLPHENOL 98%
3-Chloro-6-methylphenol5-chloro-2-methyl-phenol2-Methyl-5-chlorophenol5-chloro-2-cresol4-Chloro-2-hydroxytolueneMFCD000606729HC5YEV5N6NSC-157349
Database identifiers
- CAS
5306-98-9- PubChem CID
- 79192
- DTXSID
DTXSID50201126- UNII
- 9HC5YEV5N6
- EC Number
- 226-160-3
- Nikkaji
- J141.559J
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
Experimental & physicochemical properties
LogP2.63
Physicochemical properties
- Melting point
- 72 · 72-76 °C (lit.)
- Boiling point
- 109 · 109-112°C 15mm
- Density
- 1.1104 · 1.1104 (rough estimate)
- refractive index
- 1.4443 · 1.4443 (estimate)
- Flash point
- 109 · 109-112°C/15mm
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- powder to crystal
- pka
- 9.35 · 9.35±0.10(Predicted)
- color
- White to Light yellow to Light orange
- BRN
- 1906683 · 1906683
- InChI
- InChI=1S/C7H7ClO/c1-5-2-3-6(8)4-7(5)9/h2-4,9H,1H3
- InChIKey
- KKFPXGXMSBBNJI-UHFFFAOYSA-N
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 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (95.7%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- ridadr
- UN 3437 6.1/PG 2
- hs_code
- 29081990
- risk_code
- 22-36/37/38-38-21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- safety_code
- 26-36-28
- hazard_class
- 6.1
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- packing_group
- II
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
Chemistry & industry
Applications
Uses5-Chloro-2-methylphenol may be used in the synthesis of 4-chlorosalicylaldehyde triacetate and 1-chloro-3-isopropoxy-4-methylbenzene.
General Description5-Chloro-2-methylphenol (5-chloro-o-cresol) can be synthesized from 5-chloro-2-methylaniline. 5-Chloro-2-methylphenol is formed as one of the hydroxylation reaction products of p-chlorotoluene.
Upstream & downstream products
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Related reactions
5 records
Compound notes
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