Basic information
- CAS
6312-85-2- Standard SMILES
O=C(O)c1ccccc1Oc1cccc(Cl)c1- InChIKey
NQOFGDFOEKXOBQ-UHFFFAOYSA-N- Molecular formula
- C13H9ClO3
- Average molar mass
- 248.66 g/mol
- Monoisotopic mass
- 248.0240218
Names & identifiers
- Preferred name
- 2-(3-Chlorophenoxy)benzoic acid
- IUPAC
- 2-(3-chlorophenoxy)benzoic acid
- English name
- 2-(3-chlorophenoxy)benzoic acid
- Molecular formula
- C13H9ClO3
- Molecular weight
- 248.66
Names & synonyms
2-(3-chlorophenoxy)benzoic acid6312-85-2DTXSID50285123RefChem:251474DTXCID302362742-(3-Chlorophenoxy)-benzoic acidMFCD11156622NSC405743-chlorophenoxy benzoic acidSCHEMBL4020292SCHEMBL307750292-(3-Chlorophenoxy)-benzoicacid
Show more names
Benzoic acid, 2-(3-chlorophenoxy)-
NSC-40574AKOS000264322DB-191536A50618F797229
Database identifiers
- CAS
6312-85-2- PubChem CID
- 237249
- DTXSID
DTXSID50285123
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 269
Physicochemical properties
- storage temp.
- 0 · Store at 0-8 °C
- Appearance
- light gray powder
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Suppliers4 total
安徽合诺生物科技有限公司0555-2761852
安徽合诺生物科技有限公司18455579438
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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