Basic information
- CAS
18979-90-3- Standard SMILES
CCc1ccc(O)c(Cl)c1- InChIKey
QNQRRCHRJHMSLF-UHFFFAOYSA-N- Molecular formula
- C8H9ClO
- Average molar mass
- 156.61 g/mol
- Monoisotopic mass
- 156.0341926
Names & identifiers
- Preferred name
- 2-Chloro-4-ethylphenol
- IUPAC
- 2-chloro-4-ethylphenol
- English name
- Phenol, 4-chloro-2-ethyl-
- Molecular formula
- C8H9ClO
- Molecular weight
- 156.61
Names & synonyms
2-Chloro-4-ethylphenol18980-00-2Q6AJS79TJ9DTXSID50172408RefChem:1062778DTXCID2094899242-717-3PHENOL, 2-CHLORO-4-ETHYL-BRN 18623442-CHLORO-4-ETHYL-PHENOL4-Chlor-2-aethylphenol [German]MFCD16997710
Show more names
Phenol, 4-chloro-2-ethyl-
4-Chlor-2-aethylphenolSCHEMBL157976SCHEMBL27719648SCHEMBL30582486ALBB-032446AKOS005288299MB23911LS-12033
Database identifiers
- CAS
18979-90-3、18980-00-2- PubChem CID
- 29355
- DTXSID
DTXSID50172408- UNII
- Q6AJS79TJ9
- EC Number
- 242-717-3
- Nikkaji
- J224.820D
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 105
Physicochemical properties
- Melting point
- 72 · 72-73 °C(Solv: ethyl ether (60-29-7))
- Boiling point
- 121 · 121-123 °C(Press: 12 Torr)
- Density
- 1.18 · 1.180±0.06 g/cm3(Predicted)
- pka
- 9.82 · 9.82±0.18(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers5 total
安徽合诺生物科技有限公司0555-2761852
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
安徽合诺生物科技有限公司18455579438
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]
Related reactions
3 records
Compound notes
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