Basic information
- CAS
23609-99-6- Standard SMILES
Cc1cc(OCCCC(=O)O)ccc1Cl- InChIKey
PHYYXFKRVUCUBW-UHFFFAOYSA-N- Molecular formula
- C11H13ClO3
- Average molar mass
- 228.67 g/mol
- Monoisotopic mass
- 228.055322
Names & identifiers
- Preferred name
- 4-(4-Chloro-m-tolyloxy)-butyric acid
- IUPAC
- 4-(4-chloro-3-methylphenoxy)butanoic acid
- English name
- 4-((4-chloro-m-tolyl)oxy)-butyricaci
- Molecular formula
- C11H13ClO3
- Molecular weight
- 228.67
Names & synonyms
4-(4-Chloro-m-tolyloxy)-butyric acidRefChem:514030654-944-923609-99-64-(4-chloro-3-methylphenoxy)butanoic acid4-(4-Chloro-3-methyl-phenoxy)-butyric acid4-((4-chloro-m-tolyl)oxy)-butyricaciButanoic acid, 4-(4-chloro-3-methylphenoxy)-Butyric acid, 4-(4-chloro-m-tolyloxy)-BUTYRIC ACID, 4-((4-CHLORO-m-TOLYL)OXY)-LA337YA4CWNSC-102795
Show more names
4-(4-chloro-3-methylphenoxy)butanoate
NSC 102795BRN 1642474MFCD00021779NSC102795UNII-LA337YA4CWWLN: QV3OR DG C14-06-00-02066 (Beilstein Handbook Reference)SCHEMBL7827991
Database identifiers
- CAS
23609-99-6- PubChem CID
- 32028
- DTXSID
DTXSID50178263- UNII
- LA337YA4CW
- EC Number
- 654-944-9
- Nikkaji
- J42.780B
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- FDA UNII
- 337 YA4CW · LA337YA4CW
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-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.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H302-H315-H318-H335
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers4 total
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
菏泽书颖生物科技有限公司18553078733 · [email protected]
山东碳氢生物化工有限公司13060081947 13060081947 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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