Basic information
- CAS
925005-02-3- Standard SMILES
Cc1cc(Oc2ccc(C(=O)O)cc2)ccc1Cl- InChIKey
VWWOQOMNFSOVPN-UHFFFAOYSA-N- Molecular formula
- C14H11ClO3
- Average molar mass
- 262.69 g/mol
- Monoisotopic mass
- 262.0396719
Names & identifiers
- Preferred name
- 4-(4-Chloro-3-methylphenoxy)-benzoic acid
- IUPAC
- 4-(4-chloro-3-methylphenoxy)benzoic acid
- English name
- JR-7133, 4-(4-Chloro-3-methylphenoxy)benzoic acid, 97%
- Molecular formula
- C14H11ClO3
- Molecular weight
- 262.69
Names & synonyms
925005-02-3RefChem:5140204-(4-Chloro-3-methylphenoxy)-benzoic acid111-828-84-(4-CHLORO-3-METHYLPHENOXY)BENZOIC ACIDMFCD08446906SCHEMBL15096335VWWOQOMNFSOVPN-UHFFFAOYSA-NAKOS0060376154-(4-chloro-3-methyl-phenoxy)benzoic acidBenzoic acid, 4-(4-chloro-3-methylphenoxy)-JR-7133, 4-(4-Chloro-3-methylphenoxy)benzoic acid, 97%
Database identifiers
- CAS
925005-02-3- PubChem CID
- 22679883
- EC Number
- 111-828-8
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 287
Physicochemical properties
- Boiling point
- 402.6 · 402.6±35.0 °C(Predicted)
- Density
- 1.308 · 1.308±0.06 g/cm3(Predicted)
- form
- solid
- pka
- 4.27 · 4.27±0.10(Predicted)
- InChI
- 1S/C14H11ClO3/c1-9-8-12(6-7-13(9)15)18-11-4-2-10(3-5-11)14(16)17/h2-8H,1H3,(H,16,17)
- InChIKey
- VWWOQOMNFSOVPN-UHFFFAOYSA-N
- SMILES
- CC1=CC(OC2=CC=C(C(O)=O)C=C2)=CC=C1Cl
- UNSPSC Code
- 12352101 · 12352101
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H410
- Precautionary statements
- 273 · P273-P302+P352-P305+P351+P338
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P391, 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
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H410
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2
- Precautionary statements
- P273-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers1 total
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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