2,3-Norbornanedicarboxylic acid
Basic information
- CAS
1724-08-9- Standard SMILES
O=C(O)C1C2CCC(C2)C1C(=O)O- InChIKey
IVVOCRBADNIWDM-UHFFFAOYSA-N- Molecular formula
- C9H12O4
- Average molar mass
- 184.19 g/mol
- Monoisotopic mass
- 184.07355886
Names & identifiers
- Preferred name
- 2,3-Norbornanedicarboxylic acid
- IUPAC
- bicyclo[2.2.1]heptane-2,3-dicarboxylic acid
- English name
- 2,3-Norbornanedicarboxylic acid
- Molecular formula
- C9H12O4
- Molecular weight
- 184.19
Names & synonyms
2,3-Norbornanedicarboxylic AcidRefChem:442615663-370-81724-08-9bicyclo[2.2.1]heptane-2,3-dicarboxylic acidDihydronadic acid2435-37-2MFCD00520577endo,endo-2,3-Norbornanedicarboxylic acidBicyclo[2.2.1]heptane-2,3-dicarboxylicacidNSC46410UNII-C3ZQ7ZAX9Q
Show more names
2,3-NorbornanedicarboxylicAci2,3-norbornenedicarboxylic acidnorbornane-2,3-dicarboxylic acid2,3-NorbornanedicarboxylicAcid>bicyclo[2.2.1]heptane-5,6-dicarboxylic acidBicyclo[2.2.1]heptane-2,3-dicarboxylic acid (9CI, ACI)
SCHEMBL18722127862-85-7SR-01000494140-12,3-Norbornanedicarboxylic acid, endo,endo-C3ZQ7ZAX9QNSC 238000NSC-2380002,3-NORBORNANEDICARBOXYLICACID
Database identifiers
- CAS
1724-08-9、2435-37-2、27862-85-7、6343-11-9- PubChem CID
- 99835
- DTXSID
DTXSID90938141- EC Number
- 663-370-8
- Nikkaji
- J2.528.565D
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Melting point
- 150 °C · 150 °C(Solv: acetic acid (64-19-7))
- Boiling point
- 407.7 · 407.7±28.0 °C(Predicted)
- Density
- 1.42 · 1.420±0.06 g/cm3(Predicted)
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 4.12 · 4.12±0.40(Predicted)
- color
- White to Almost white
- InChI
- InChI=1S/C9H12O4/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13/h4-7H,1-3H2,(H,10,11)(H,12,13)
- InChIKey
- IVVOCRBADNIWDM-UHFFFAOYSA-N
- SMILES
- C12CC(CC1)C(C(O)=O)C2C(O)=O
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H335-H315-H302
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310
- HS Code
- 2917200090 · 2917200090
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 (97.5%): 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)
Aggregated GHS information provided per 40 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 (97.5%)
Safety data
- hs_code
- 2917200090
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H318-H335-H315-H302
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310
Related reactions
2 records
Compound notes
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