Basic information
- CAS
907948-73-6- Standard SMILES
CC(C)(C)OC(=O)c1ccccc1C=O- InChIKey
AMGDHQPXAGWBSF-UHFFFAOYSA-N- Molecular formula
- C12H14O3
- Average molar mass
- 206.24 g/mol
- Monoisotopic mass
- 206.0942943
Names & identifiers
- Preferred name
- Tert-butyl 2-formylbenzoate
- IUPAC
- tert-butyl 2-formylbenzoate
- English name
- 2-Formyl-benzoic acid mono tert-butyl ester
- Molecular formula
- C12H14O3
- Molecular weight
- 206.24
Names & synonyms
tert-Butyl 2-formylbenzoate907948-73-6RefChem:892616960-260-4MFCD02180884tert-Butyl 2-formylbenoatetert-Butyl2-formylbenzoateSCHEMBL97165SCHEMBL97166HLB94873SBB0936732-Methyl-2-propanyl 2-formylbenzoate
Show more names
1,1-Dimethylethyl 2-formylbenzoate2-Formyl-benzoic acid mono tert-butyl esterBenzoic acid, 2-formyl-, 1,1-dimethylethyl ester
AKOS015837504AS-5104EN300-265920G30451F047508Z1509470437
Database identifiers
- CAS
907948-73-6- PubChem CID
- 19082581
- EC Number
- 960-260-4
- Nikkaji
- J1.180.644I
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
- Boiling point
- 310.2 · 310.2±25.0 °C(Predicted)
- Density
- 1.093 · 1.093±0.06 g/cm3(Predicted)
- form
- oil
- color
- Colourless
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 280 · P280-P301+P312-P362+P364
- HazardClass
- IRRITANT
- HS Code
- 2916310090 · 2916310090
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
- 2916310090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P280-P301+P312-P362+P364
Chemistry & industry
Suppliers7 total
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
河南普赛化工产品有限公司0371-60919097 15378766539 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
郑州浩创新材料有限公司19139721821; 19139721821 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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