2-(5-Chloro-2-hydroxyphenyl)acetic acid
Completing data — refresh the page later to see the latest
Basic information
- CAS
24161-38-4- Standard SMILES
O=C(O)Cc1cc(Cl)ccc1O- InChIKey
MXOUPSVVAIWFKQ-UHFFFAOYSA-N- Molecular formula
- C8H7ClO3
- Average molar mass
- 186.59 g/mol
- Monoisotopic mass
- 186.0083718
Names & identifiers
- Preferred name
- 2-(5-Chloro-2-hydroxyphenyl)acetic acid
- IUPAC
- 2-(5-chloro-2-hydroxyphenyl)acetic acid
- English name
- Benzeneacetic acid,5-chloro-2-hydroxy-
- Molecular formula
- C8H7ClO3
- Molecular weight
- 186.59
Names & synonyms
2-(5-chloro-2-hydroxyphenyl)acetic acidRefChem:458752839-976-524161-38-45-chloro-2-hydroxyphenylacetic acid(5-chloro-2-hydroxyphenyl)acetic acidBenzeneacetic acid,5-chloro-2-hydroxy-MFCD11840335NSC54854NSC-54854(5-chloro-2-hydroxy-phenyl)-acetic acid5-Chloro-2-hydroxybenzeneacetic acid
Show more names
NCIStruc1_000133NCIStruc2_000241SCHEMBL3141863CHEMBL1742083DTXSID30288238MXOUPSVVAIWFKQ-UHFFFAOYSA-NNCI54854AC5703
Database identifiers
- CAS
24161-38-4- PubChem CID
- 244199
- DTXSID
DTXSID30288238- ChEMBL
CHEMBL1742083- EC Number
- 839-976-5
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Melting point
- 129 · 129-130 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 359.3 · 359.3±27.0 °C(Predicted)
- Density
- 1.466 · 1.466±0.06 g/cm3(Predicted)
- pka
- 4 · 4.00±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
- HS Code
- 2918999090 · 2918999090
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
- hs_code
- 2918999090
- 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
Related reactions
3 records
Compound notes
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