Basic information
- CAS
17413-73-9- Standard SMILES
CC(C)(Oc1cccc(Cl)c1)C(=O)O- InChIKey
PZBIVIXQLIVFHJ-UHFFFAOYSA-N- Molecular formula
- C10H11ClO3
- Average molar mass
- 214.64 g/mol
- Monoisotopic mass
- 214.0396719
Names & identifiers
- Preferred name
- 2-(3-Chlorophenoxy)-2-methylpropanoic acid
- IUPAC
- 2-(3-chlorophenoxy)-2-methylpropanoic acid
- English name
- AKOS B013911
- Molecular formula
- C10H11ClO3
- Molecular weight
- 214.65
Names & synonyms
2-(3-chlorophenoxy)-2-methylpropanoic acidRefChem:455366808-702-617413-73-9Propanoic acid, 2-(3-chlorophenoxy)-2-methyl-MFCD01695660Propionic acid, 2-(m-chlorophenoxy)-2-methyl-2-(3-Chlorophenoxy)-2-methyl-propanoic acidBRN 18740662-(m-Chlorophenoxy)-2-methylpropionic acidAcide (m-chlorophenoxy)-2 methyl-2 propionique [French]Acide (m-chlorophenoxy)-2 methyl-2 propionique
Show more names
AKOS B013911CHEMBRDG-BB 3013911ART-CHEM-BB B013911α-(3-chloro-phenoxy)-isobutyric acid2-(3-chlorophenoxy)-2-methylpropanoic acid(SALTDATA: FREE)
SCHEMBL3374117DTXSID00169767ALBB-000883BBL014136STK397554AKOS000102211AS-37295DB-064943
Database identifiers
- CAS
17413-73-9- PubChem CID
- 28529
- DTXSID
DTXSID00169767
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Melting point
- 61 · 61-63 °C
- Boiling point
- 130 · 130-131 °C(Press: 0.8 Torr)
- Density
- 1.265 · 1.265±0.06 g/cm3(Predicted)
- form
- solid
- pka
- 3.17 · 3.17±0.10(Predicted)
- InChI
- 1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-4-7(11)6-8/h3-6H,1-2H3,(H,12,13)
- InChIKey
- PZBIVIXQLIVFHJ-UHFFFAOYSA-N
- SMILES
- CC(C)(Oc1cccc(Cl)c1)C(O)=O
- UNSPSC Code
- 12352106 · 12352106
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi,Xn
- Risk Statements
- 22 · 22
- WGK Germany
- 3 · WGK 3
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]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- hs_code
- 2918999090
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers15 total
北京炎礼生物科技有限公司18600731423 · [email protected]
Aladdin Scientific[email protected]
Young Lively PharminBlock Co.,Ltd18600731423 · [email protected]
卡迪亚医药科技有限公司0371-86615086 18203638366 0371-86159066 13526786601
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
上海马氏化学科技有限公司19916721580 · [email protected]
北京博恩康达医药科技有限公司13261021908 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
北京索美科医药科技有限公司13464564313 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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