3'-Methyl-biphenyl-3-carboxylic acid
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Basic information
- CAS
158619-46-6- Standard SMILES
Cc1cccc(-c2cccc(C(=O)O)c2)c1- InChIKey
BJVLFJADOVATRU-UHFFFAOYSA-N- Molecular formula
- C14H12O2
- Average molar mass
- 212.24 g/mol
- Monoisotopic mass
- 212.08372962
Names & identifiers
- Preferred name
- 3'-Methyl-biphenyl-3-carboxylic acid
- IUPAC
- 3-(3-methylphenyl)benzoic acid
- English name
- 3'-METHYL-BIPHENYL-3-CARBOXYLIC ACID
- Molecular formula
- C14H12O2
- Molecular weight
- 212.24
Names & synonyms
3'-Methyl-biphenyl-3-carboxylic acidRefChem:484706673-829-4158619-46-63'-methylbiphenyl-3-carboxylic acid3-(3-methylphenyl)benzoic acid3'-methyl[1,1'-biphenyl]-3-carboxylic acidMFCD005588923'-Methyl-3-biphenylcarboxylic acidCBDivE_005744[1,1'-Biphenyl]-3-carboxylic acid, 3'-methyl-3'-methyl-[1,1'-biphenyl]-3-carboxylic acid
Show more names
-biphenyLAKOS BAR-0003RARECHEM AL BE 13473-(3-Tolyl)benzoic acid3-(3-methylphenyl)benzoate443'-Biphenyl-3-carboxylic acid
Cambridge id 5211690DTXSID10353670AKOS002678384SY0636513/'-METHYL-BIPHENYL-3-CARBOXYLIC ACIDAB00075303-01Z7326815023 inverted exclamation mark -Methylbiphenyl-3-carboxylic Acid
Database identifiers
- CAS
158619-46-6- PubChem CID
- 747832
- DTXSID
DTXSID10353670- ChEMBL
CHEMBL4170450- EC Number
- 673-829-4
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- storage temp.
- Sealed in dry,Room Temperature
- form
- solid
- color
- Pale brown
- Water Solubility
- Slightly soluble in water.
- CAS DataBase Reference
- 158619 · 158619-46-6(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- 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
H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (25%)
Safety data
- hs_code
- 2916399090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesIt is employed as a intermediate for pharmaceutical.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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