Basic information
- CAS
1795-62-6- Standard SMILES
O=C(O)CCCCCCCCl- InChIKey
SCTRLHIAVHHIEJ-UHFFFAOYSA-N- Molecular formula
- C8H15ClO2
- Average molar mass
- 178.65 g/mol
- Monoisotopic mass
- 178.0760574
Names & identifiers
- Preferred name
- 8-Chlorooctanoic acid
- IUPAC
- 8-chlorooctanoic acid
Names & synonyms
8-Chlorooctanoic acid1795-62-6RefChem:547983869-435-9MFCD206216758-Chlorocapric acid8-Chlorooctanoicacid8-Chlorooctanoic acid #Octanoic acid, 8-chloro-Thioctic acid Impurity 90SCHEMBL4163115SCTRLHIAVHHIEJ-UHFFFAOYSA-N
Show more names
BAA79562SY293409DB-197600EN300-96213G52356
Database identifiers
- CAS
1795-62-6- PubChem CID
- 548250
- EC Number
- 869-435-9
- Nikkaji
- J2.982.109G
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 104
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)
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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