Basic information
- CAS
247186-56-7- Standard SMILES
CC(C)(C)OC(=O)c1cccc(C=O)c1- InChIKey
GGPVOXVKIVXELX-UHFFFAOYSA-N- Molecular formula
- C12H14O3
- Average molar mass
- 206.24 g/mol
- Monoisotopic mass
- 206.0942943
Names & identifiers
- Preferred name
- Tert-butyl 3-formylbenzoate
- IUPAC
- tert-butyl 3-formylbenzoate
- English name
- tert-Butyl 3-formylbenzoate
- Molecular formula
- C12H14O3
- Molecular weight
- 206.24
Names & synonyms
Tert-butyl 3-formylbenzoate247186-56-7DTXSID90445709RefChem:383397DTXCID40396530858-708-8MFCD02180885Benzoic acid, 3-formyl-, 1,1-dimethylethyl esterTert-butyl3-formylbenzoateSCHEMBL895414SCHEMBL3682063GGPVOXVKIVXELX-UHFFFAOYSA-N
Show more names
3-(Tert-butoxycarbonyl)benzaldehydeXJA18656SBB093668AKOS015837458AS-5105SY148437DB-067253CS-0154845
Database identifiers
- CAS
247186-56-7- PubChem CID
- 10845940
- DTXSID
DTXSID90445709- EC Number
- 858-708-8
- Nikkaji
- J1.180.650C
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- Appearance
- Colorless to off-white Solid-Liquid Mixture
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HazardClass
- IRRITANT
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]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers29 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
南京代盟化工有限公司02566880956 · [email protected]
河南利恩化工产品有限公司0371-63357898 15378766539 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
西安乐纯化工有限责任公司029-15596886083 15596886083 · [email protected]
Related reactions
6 records
Compound notes
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