Basic information
- CAS
2227758-80-5- Standard SMILES
N#Cc1ccccc1[C@@H]1C[C@H]1C(=O)O- InChIKey
YIXXBNRXORCRTG-VHSXEESVSA-N- Molecular formula
- C11H9NO2
- Average molar mass
- 187.19 g/mol
- Monoisotopic mass
- 187.06332853
Names & identifiers
- Preferred name
- rac-(1R,2R)-2-(2-cyanophenyl)cyclopropane-1-carboxylic acid
- IUPAC
- trans-(1R,2R)-2-(2-cyanophenyl)cyclopropane-1-carboxylic acid
- English name
- 2-(2-cyanophenyl)cyclopropane-1-carboxylic acid
- Molecular formula
- C11H9NO2
- Molecular weight
- 187.2
Names & synonyms
rac-(1R,2R)-2-(2-cyanophenyl)cyclopropane-1-carboxylic acidRefChem:872424957-909-92227758-80-5(1R,2R)-2-(2-Cyanophenyl)cyclopropanecarboxylic acid(1R,2R)-2-(2-cyanophenyl)cyclopropane-1-carboxylic acidYIXXBNRXORCRTG-VHSXEESVSA-Nrel-(1R,2R)-2-(2-Cyanophenyl)cyclopropane-1-carboxylic acidG79078EN300-18145512-(2-cyanophenyl)cyclopropane-1-carboxylic acidCyclopropanecarboxylic acid, 2-(2-cyanophenyl)-, (1R,2R)-
Database identifiers
- CAS
2227758-80-5- PubChem CID
- 164182192
- EC Number
- 957-909-9
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 61.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 291
Physicochemical properties
- Boiling point
- 386.4 · 386.4±42.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- pka
- 4.35 · 4.35±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers6 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
河南梦泰医药科技有限公司17634413542 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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