Basic information
- CAS
31501-86-7- Standard SMILES
O=C(O)[C@@H]1C[C@H]1c1ccc(Cl)cc1- InChIKey
JZYXJKBNUJJIKU-DTWKUNHWSA-N- Molecular formula
- C10H9ClO2
- Average molar mass
- 196.63 g/mol
- Monoisotopic mass
- 196.02910721
Names & identifiers
- Preferred name
- rac-(1R,2R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
- IUPAC
- trans-(1R,2R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
- English name
- (1R,2R)-2-(4-chlorophenyl)cyclopropanecarboxylic acid
- Molecular formula
- C10H9ClO2
- Molecular weight
- 196.63
Names & synonyms
4157-47-5rac-(1r,2r)-2-(4-Chlorophenyl)cyclopropane-1-carboxylic acidRefChem:872461847-040-2(1R,2R)-2-(4-chlorophenyl)cyclopropanecarboxylic acid31501-86-7(1R,2R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acidtrans-2-(4-chlorophenyl)cyclopropanecarboxylic acidMFCD24386956rel-(1R,2R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acidrac-(1R,2R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid, transMFCD11574937
Show more names
Cyclopropanecarboxylic acid, 2-(4-chlorophenyl)-, (1R,2R)-
SY205590starbld0021730SCHEMBL4210867DTXSID60426368YQF4543JZYXJKBNUJJIKU-DTWKUNHWSA-NAC8131AC9688
Database identifiers
- CAS
31501-86-7、4157-47-5- PubChem CID
- 6993920
- DTXSID
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
- 13
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- Boiling point
- 346.9 · 346.9±42.0 °C(Predicted)
- Density
- 1.388 · 1.388±0.06 g/cm3(Predicted)
- pka
- 4.53 · 4.53±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
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, 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
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers9 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
南通敏言生物医药科技有限公司0513-85921823 18662920231 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
南京合巨药业有限公司25-57027686 17372956142 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
南通普悦生物医药有限公司0513-0513-0513-89158300 18014392889 · [email protected]
Related reactions
2 records
Compound notes
Loading…