4H,5H,6H,7H,8H-cyclohepta(d)(1,2)oxazole-3-carboxylic acid
Basic information
- CAS
33230-32-9- Standard SMILES
O=C(O)c1noc2c1CCCCC2- InChIKey
IOXIIOUTRNRNQM-UHFFFAOYSA-N- Molecular formula
- C9H11NO3
- Average molar mass
- 181.19 g/mol
- Monoisotopic mass
- 181.07389321
Names & identifiers
- Preferred name
- 4H,5H,6H,7H,8H-cyclohepta(d)(1,2)oxazole-3-carboxylic acid
- IUPAC
- 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxylic acid
- English name
- 5,6,7,8-Tetrahydro-4 H-cyclohepta[ D ]isoxazole-3-carboxylic acid
- Molecular formula
- C9H11NO3
- Molecular weight
- 181.19
Names & synonyms
4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-carboxylic acid4H,5H,6H,7H,8H-cyclohepta(d)(1,2)oxazole-3-carboxylic acidRefChem:527142879-365-033230-32-95,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxylic acidMFCD049699005,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxylic acid5,6,7,8-TETRAHYDRO-4 H-CYCLOHEPTA[ D ]ISOXAZOLE-3-CARBOXYLIC ACIDSCHEMBL20507181DTXSID204269005,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxylicacid
Show more names
AKOS B020717ART-CHEM-BB B0207174H-cyclohept[d]isoxazole-3-carboxylic acid, 5,6,7,8-tetrah4H-cyclohept[d]isoxazole-3-carboxylic acid, 5,6,7,8-tetrahydro-
BBL011814SBB017984STK347000AKOS000273640AS-44065SY080439CS-0217755EN300-83721
Database identifiers
- CAS
33230-32-9- PubChem CID
- 7017673
- DTXSID
DTXSID20426900- EC Number
- 879-365-0
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2934999090 · 2934999090
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
Uses5,6,7,8-Tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxylic Acid can be used as skin whitening agents.
Suppliers
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Related reactions
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Compound notes
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