Hept-2-ynoic acid
Basic information
- CAS
1483-67-6- Standard SMILES
CCCCC#CC(=O)O- InChIKey
UEERQXQKEJPYBR-UHFFFAOYSA-N- Molecular formula
- C7H10O2
- Average molar mass
- 126.15 g/mol
- Monoisotopic mass
- 126.06807956
Names & identifiers
- Preferred name
- Hept-2-ynoic acid
- IUPAC
- hept-2-ynoic acid
- English name
- 2-HEPTYNOIC ACID
- Molecular formula
- C7H10O2
- Molecular weight
- 126.15
Names & synonyms
Hept-2-ynoic acidAI3-07054EINECS 216-048-2DTXSID30163950NSC 289571RefChem:783556DTXCID3086441216-048-22-Heptynoic acid1483-67-62-HEPTYNOICACIDMFCD00014372
Show more names
2-HeptynoicAcid>TIMTEC-BB SBB0087982-HEPTYNOIC ACID 97+%
heptynoic acid5N652B4GBBNSC-289571UNII-5N652B4GBBSCHEMBL1088162SCHEMBL3104220SCHEMBL9746630NSC289571
Database identifiers
- CAS
1483-67-6- PubChem CID
- 73869
- DTXSID
DTXSID30163950- UNII
- 5N652B4GBB
- EC Number
- 216-048-2
- Nikkaji
- J206.687D
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 147
Physicochemical properties
- Melting point
- -3.32 °C · -3.32°C (estimate)
- Boiling point
- 108 · 108-110°C 5mm
- Density
- 0 · 0,98 g/cm3
- refractive index
- 1.459 · 1.4590-1.4620
- pka
- 2.67 · 2.67±0.10(Predicted)
- CAS DataBase Reference
- 1483 · 1483-67-6
- FDA UNII
- 5 N652B4GBB · 5N652B4GBB
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 290 · H290-H314
- Precautionary statements
- 234 · P234-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P405-P406-P501
- Hazard Codes
- Xn
- Risk Statements
- 34 · 34-22
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 3265 · 3265
- HazardClass
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
H290 (100%): May be corrosive to metals [Warning Corrosive to Metals]
P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, 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 CategoriesMet. Corr. 1 (100%)
Safety data
- ridadr
- 3265
- hs_code
- 2916199590
- risk_code
- 34-22
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xn
- safety_code
- 26-36/37/39
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H290-H314
- Precautionary statements
- P234-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P405-P406-P501
Suppliers
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Related reactions
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Compound notes
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