Basic information
- CAS
62176-37-8- Standard SMILES
O=C(O)c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1- InChIKey
YLRVNVFRKCEBEP-UHFFFAOYSA-N- Molecular formula
- C14H9Cl3O3
- Average molar mass
- 331.6 g/mol
- Monoisotopic mass
- 329.961727
Names & identifiers
- Preferred name
- 5-Chloro-2-[(3,4-dichlorobenzyl)oxy]benzoic acid
- IUPAC
- 5-chloro-2-[(3,4-dichlorophenyl)methoxy]benzoic acid
- English name
- 5-chloro-2-[(3,4-dichlorobenzyl)oxy]benzoic acid
- Molecular formula
- C14H9Cl3O3
- Molecular weight
- 331.58
Names & synonyms
62176-37-85-chloro-2-[(3,4-dichlorobenzyl)oxy]benzoic acid5-chloro-2-[(3,4-dichlorophenyl)methoxy]benzoic Acid5-Chloro-2-((3,4-dichlorobenzyl)oxy)benzoic acidBenzoic acid, 5-chloro-2-[(3,4-dichlorophenyl)methoxy]-DTXSID40399309AKOS0050619345-Chloro-2-((3,4-dichlorobenzyl)oxy)benzoicacid5-CHLORO-2-(3,4-DICHLORO-BENZYLOXY)-BENZOIC ACIDST5449594
Database identifiers
- CAS
62176-37-8- PubChem CID
- 4100107
- DTXSID
DTXSID40399309- EC Number
- 163-023-6
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 340
Physicochemical properties
- Melting point
- 180.6 · 180.6-182.9 °C(Solv: ethanol (64-17-5); water (7732-18-5))
- Boiling point
- 474.1 · 474.1±40.0 °C(Predicted)
- Density
- 1.49 · 1.490±0.06 g/cm3(Predicted)
- pka
- 3.04 · 3.04±0.36(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H317
- Precautionary statements
- 305 · P305+P351+P338-P280
- HazardClass
- IRRITANT
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]
P264, P270, P273, P301+P317, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H319-H317
- Precautionary statements
- P305+P351+P338-P280
Chemistry & industry
Suppliers3 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
菏泽书颖生物科技有限公司18553078733 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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