Basic information
- CAS
93497-08-6- Standard SMILES
OCc1ccc(Oc2ccc(Cl)cc2)cc1- InChIKey
KJGZOJJWQRGHCL-UHFFFAOYSA-N- Molecular formula
- C13H11ClO2
- Average molar mass
- 234.68 g/mol
- Monoisotopic mass
- 234.0447573
Names & identifiers
- Preferred name
- (4-(4-Chlorophenoxy)phenyl)methanol
- IUPAC
- [4-(4-chlorophenoxy)phenyl]methanol
- English name
- [4-(4-chlorophenoxy)phenyl]methanol
- Molecular formula
- C13H11ClO2
- Molecular weight
- 234.68
Names & synonyms
93497-08-6(4-(4-Chlorophenoxy)phenyl)methanol[4-(4-Chloro-phenoxy)-phenyl]-methanol[4-(4-chlorophenoxy)phenyl]methanolMFCD11190406SCHEMBL20591074SB40065DA-22554CS-03407784-(4-chlorophenoxy)benzenemethanolBenzenemethanol, 4-(4-chlorophenoxy)-
Database identifiers
- CAS
93497-08-6- PubChem CID
- 13384254
- Nikkaji
- J2.124.006K
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 194
Physicochemical properties
- Melting point
- 81 · 81-83 °C
- Boiling point
- 362.2 · 362.2±27.0 °C(Predicted)
- Density
- 1.263 · 1.263±0.06 g/cm3(Predicted)
- pka
- 14.36 · 14.36±0.10(Predicted)
- form
- solid
- InChI
- 1S/C13H11ClO2/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12/h1-8,15H,9H2
- InChIKey
- KJGZOJJWQRGHCL-UHFFFAOYSA-N
- SMILES
- ClC1=CC=C(C=C1)OC2=CC=C(CO)C=C2
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317
- Precautionary statements
- 280 · P280
- Risk Statements
- 43 · 43
- Safety Statements
- 36 · 36/37
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
- wgk
- WGK 3
- risk_code
- 43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 36/37
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H317
- Hazard Classifications
- Acute Tox. 4 OralSkin Sens. 1
- Precautionary statements
- P280
Chemistry & industry
Suppliers8 total
天津林宸科技有限公司15122256084 15122256084 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 13651849907 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
合肥瑞科昇生物科技有限公司0551-66336380 18956014586 · [email protected]
上海智乾生物科技有限公司[email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…