Phenyl 4-chlorobutyrate
Basic information
- CAS
54839-22-4- Standard SMILES
O=C(CCCCl)Oc1ccccc1- InChIKey
PGNJLBWZQUKEHW-UHFFFAOYSA-N- Molecular formula
- C10H11ClO2
- Average molar mass
- 198.64 g/mol
- Monoisotopic mass
- 198.0447573
Names & identifiers
- Preferred name
- Phenyl 4-chlorobutyrate
- IUPAC
- phenyl 4-chlorobutanoate
- English name
- phenyl 4-chlorobutyrate
- Molecular formula
- C10H11ClO2
- Molecular weight
- 198.65
Names & synonyms
Phenyl 4-chlorobutyratephenyl 4-chlorobutanoate54839-22-4EINECS 259-369-3DTXSID80203330NSC 163393RefChem:861565DTXCID80125821259-369-3SCHEMBL115135574-Chlorobutyric acid, phenyl esterNSC163393
Show more names
PGNJLBWZQUKEHW-UHFFFAOYSA-NButanoic acid, 4-chloro-, phenyl ester
AKOS005287861NSC-163393NS00033202
Database identifiers
- CAS
54839-22-4- PubChem CID
- 98755
- DTXSID
DTXSID80203330- EC Number
- 259-369-3
- Nikkaji
- J326.696F
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H302-H317
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P319, P321, P330, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H302-H317
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…