1-(4-Bromophenyl)cyclopentanecarboxylic acid
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Basic information
- CAS
143328-24-9- Standard SMILES
O=C(O)C1(c2ccc(Br)cc2)CCCC1- InChIKey
UALMMAIHRMKFCW-UHFFFAOYSA-N- Molecular formula
- C12H13BrO2
- Average molar mass
- 269.13 g/mol
- Monoisotopic mass
- 268.00989
Names & identifiers
- Preferred name
- 1-(4-Bromophenyl)cyclopentanecarboxylic acid
- IUPAC
- 1-(4-bromophenyl)cyclopentane-1-carboxylic acid
- English name
- 1-(4-Bromophenyl)cyclopentanecarboxylic acid
- Molecular formula
- C12H13BrO2
- Molecular weight
- 269.13
Names & synonyms
1-(4-Bromophenyl)cyclopentanecarboxylic acid143328-24-9DTXSID00356498RefChem:224922DTXCID10307557UALMMAIHRMKFCW-UHFFFAOYSA-N1-(4-bromophenyl)cyclopentane-1-carboxylic acidMFCD00455267Oprea1_566312Oprea1_669317SCHEMBL9966557TFA32824
Show more names
ASISCHEM D50960OTAVA-BB 1287303Cyclopentanecarboxylic acid, 1-(4-bromophenyl)-
STK179589AKOS000109356AB90888BS-14015DA-31044SY105164CS-0046988ST50004479
Database identifiers
- CAS
143328-24-9- PubChem CID
- 824992
- DTXSID
DTXSID00356498- EC Number
- 102-721-7
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Boiling point
- 380.8 · 380.8±35.0 °C(Predicted)
- Density
- 1.497 · 1.497±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 4.26 · 4.26±0.20(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- HS Code
- 2916399090 · 2916399090
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]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- hs_code
- 2916399090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
2 records
Compound notes
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