2-(1-Phenylcyclopropyl)acetic acid
Basic information
- CAS
7350-58-5- Standard SMILES
O=C(O)CC1(c2ccccc2)CC1- InChIKey
VDILQNWKNNOSKJ-UHFFFAOYSA-N- Molecular formula
- C11H12O2
- Average molar mass
- 176.21 g/mol
- Monoisotopic mass
- 176.08372962
Names & identifiers
- Preferred name
- 2-(1-Phenylcyclopropyl)acetic acid
- IUPAC
- 2-(1-phenylcyclopropyl)acetic acid
- English name
- 2-(1-phenylcyclopropyl)acetic acid
- Molecular formula
- C11H12O2
- Molecular weight
- 176.21
Names & synonyms
2-(1-phenylcyclopropyl)acetic acid7350-58-5RefChem:451233855-151-2MFCD163016771-Phenylcyclopropaneacetic acidSCHEMBL13618752-(1-phenylcyclopropyl)aceticacidVDILQNWKNNOSKJ-UHFFFAOYSA-N(1-phenyl-cyclopropyl)-acetic acidHAA35058AKOS022300435
Show more names
(1-phenylcyclopropyl)acetic acidCyclopropaneacetic acid, 1-phenyl-
KS-10282DB-147822EN300-173302F550037Z1255374825
Database identifiers
- CAS
7350-58-5- PubChem CID
- 13640314
- EC Number
- 855-151-2
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 200
Physicochemical properties
- Melting point
- 45 · 45-50 °C
- Boiling point
- 329.2 · 329.2±11.0 °C(Predicted)
- Density
- 1.19 · 1.190±0.06 g/cm3(Predicted)
- pka
- 4.76 · 4.76±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
1 records
Compound notes
Loading…