3,3'-Dimethyl-biphenyl-2,2'-dicarboxylic acid
Basic information
- CAS
93012-35-2- Standard SMILES
Cc1cccc(-c2cccc(C)c2C(=O)O)c1C(=O)O- InChIKey
PHKLLFUEVATMSI-UHFFFAOYSA-N- Molecular formula
- C16H14O4
- Average molar mass
- 270.28 g/mol
- Monoisotopic mass
- 270.08920892
Names & identifiers
- Preferred name
- 3,3'-Dimethyl-biphenyl-2,2'-dicarboxylic acid
- IUPAC
- 2-(2-carboxy-3-methylphenyl)-6-methylbenzoic acid
- English name
- 3,3'-Dimethyl-biphenyl-2,2'-dicarboxylic acid
- Molecular formula
- C16H14O4
- Molecular weight
- 270.28
Names & synonyms
3,3'-dimethyl-biphenyl-2,2'-dicarboxylic acidRefChem:484990685-011-493012-35-23,3'-Dimethyl-[1,1'-biphenyl]-2,2'-dicarboxylic acid[1,1'-Biphenyl]-2,2'-dicarboxylic acid, 3,3'-dimethyl-orb3215858SCHEMBL3795573DTXSID90408177AKOS0243319943,3'-Dimethyl[1,1'-biphenyl]-2,2'-dicarboxylic acid
Database identifiers
- CAS
93012-35-2- PubChem CID
- 5085220
- DTXSID
DTXSID90408177- EC Number
- 685-011-4
- Nikkaji
- J901.747J
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 343
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H400
- Precautionary statements
- 273 · P273-P391-P501-P264-P270-P301+P312-P330-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]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 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,GHS09
- Hazard statements
- H302-H400
- Precautionary statements
- P273-P391-P501-P264-P270-P301+P312-P330-P501
Suppliers
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Related reactions
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Compound notes
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