Basic information
- CAS
5538-41-0- Standard SMILES
Cc1cc(C)c(Cl)c(O)c1- InChIKey
ZXPLGLMEXWSLCX-UHFFFAOYSA-N- Molecular formula
- C8H9ClO
- Average molar mass
- 156.61 g/mol
- Monoisotopic mass
- 156.0341926
Names & identifiers
- Preferred name
- Phenol, 2-chloro-3,5-dimethyl-
- IUPAC
- 2-chloro-3,5-dimethylphenol
- English name
- CHLOROXYLENOL RELATED COMPOUND A (25 MG) (2- CHLORO-3,5-DIMETHYLPHENOL)
- Molecular formula
- C8H9ClO
- Molecular weight
- 156.61
Names & synonyms
2-chloro-3,5-dimethylphenol2-Chloro-3,5-xylenolPhenol, 2-chloro-3,5-dimethyl-AM323UDG3UEINECS 226-898-63,5-Xylenol, 2-chloro-DTXSID5063946UNII-AM323UDG3URefChem:172753DTXCID70418815538-41-0MFCD09835163
Show more names
Chloroxylenol USP RC AChloroxylenol Related CoMpound AChloroxylenol USP Related Compound A5,7-diethyl-2-(3-nitrophenyl)-1,3-diazaadamantan-7-oneCHLOROXYLENOL RELATED COMPOUND A (25 MG) (2- CHLORO-3,5-DIMETHYLPHENOL)Chloroxylenol Related Compound A (2-chloro-3,5-dimethylphenol) (1122722)
2-chloro-3,5-di-methylphenolSCHEMBL3719666AKOS006327292BS-17053CS-0197279F116722-chloro-3,5-dimethyl-phenolPhenol, 2-chloro-3,5-dimethyl-; 3,5-Xylenol, 2-chloro- (7CI,8CI); 2-Chloro-3,5-dimethylphenol; 2-Chloro-3,5-xylenol; Chloroxylenol Related Compound A
Database identifiers
- CAS
5538-41-0- PubChem CID
- 79667
- DTXSID
DTXSID5063946- UNII
- AM323UDG3U
- EC Number
- 226-898-6
- Nikkaji
- J141.571I
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- Melting point
- 115 · 115-116℃
- Boiling point
- 231 ℃ · 231℃
- Density
- 1.183 · 1.183
- Flash point
- 93 ℃ · 93℃
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Low-Melting Solid
- pka
- 8.72 · 8.72±0.15(Predicted)
- color
- Pale Orange to Pale Brown
- Major Application
- pharmaceutical (small molecule)
- InChI
- 1S/C8H9ClO/c1-5-3-6(2)8(9)7(10)4-5/h3-4,10H,1-2H3
- InChIKey
- ZXPLGLMEXWSLCX-UHFFFAOYSA-N
- SMILES
- Clc1c(cc(cc1C)C)O
- FDA UNII
- 323 UDG3U · AM323UDG3U
- EPA Substance Registry System
- 2 · Phenol, 2-chloro-3,5-dimethyl- (5538-41-0)
- UNSPSC Code
- 41116107 · 41116107
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, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, 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
Regulatory Information
REACH registered substance: 2-chloro-3,5-xylenol (EC: 226-898-6)
Phenol, 2-chloro-3,5-dimethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- tsca
- TSCA listed
- hs_code
- 2908199000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H317-H319
- REACH Registrations
- Inactive
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1
- Precautionary statements
- P280-P301+P312+P330-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 2-chloro-3,5-dimethyl-: ACTIVE
Applications
Uses2-Chloro-3,5-dimethylphenol is an impurity in the synthesis of Chloroxylenol (C427950) an antiseptic and germicide. Chloroxylenol is used for mildew prevention. Chloroxylenol is also an antibacterial; antiseptic (topical and urinary).
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers47 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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