Basic information
- CAS
79925-16-9- Standard SMILES
CC(C)(Oc1ccc(C#N)cc1)C(=O)O- InChIKey
GBGYSMXMZDBILF-UHFFFAOYSA-N- Molecular formula
- C11H11NO3
- Average molar mass
- 205.21 g/mol
- Monoisotopic mass
- 205.07389321
Names & identifiers
- Preferred name
- 2-(4-Cyanophenoxy)-2-methylpropanoic acid
- IUPAC
- 2-(4-cyanophenoxy)-2-methylpropanoic acid
- English name
- 2-(4-CYANOPHENOXY)-2-METHYLPROPANOIC ACID
- Molecular formula
- C11H11NO3
- Molecular weight
- 205.21
Names & synonyms
2-(4-cyanophenoxy)-2-methylpropanoic acid79925-16-9DTXSID50384221RefChem:252280DTXCID20335245868-314-82(4-Cyanophenoxy)-2-methylpropanoic acidMFCD00084986Propanoic acid,2-(4-cyanophenoxy)-2-methyl-2-(4-cyanophenoxy)-2-methylpropionic acidMaybridge3_000634Propanoic acid, 2-(4-cyanophenoxy)-2-methyl-
Show more names
2-(4-Cyanophenoxy)-2-methylpropanoic acid, 80<90%
SCHEMBL4700424CHEMBL4576953GBGYSMXMZDBILF-UHFFFAOYSA-NHMS1432M18SBB052741AKOS005136197CCG-234216IDI1_012021
Database identifiers
- CAS
79925-16-9- PubChem CID
- 2801238
- DTXSID
DTXSID50384221- ChEMBL
CHEMBL4576953- EC Number
- 868-314-8
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 70.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 281
Physicochemical properties
- Melting point
- 118 · 118-120 °C
- Boiling point
- 381.3 · 381.3±17.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- pka
- 3.05 · 3.05±0.10(Predicted)
- CAS DataBase Reference
- 79925 · 79925-16-9
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- HS Code
- 2926907090 · 2926907090
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
- hs_code
- 2926907090
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers14 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
卡迪亚医药科技有限公司0371-86615086 18203638366 0371-86159066 13526786601
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
苏州诺行贸易有限公司
Related reactions
1 records
Compound notes
Loading…