2-[(4-Chloronaphthalen-1-yl)oxy]acetic acid
Basic information
- CAS
835-08-5- Standard SMILES
O=C(O)COc1ccc(Cl)c2ccccc12- InChIKey
MNLRUNHEJYLLBJ-UHFFFAOYSA-N- Molecular formula
- C12H9ClO3
- Average molar mass
- 236.65 g/mol
- Monoisotopic mass
- 236.0240218
Names & identifiers
- Preferred name
- 2-[(4-Chloronaphthalen-1-yl)oxy]acetic acid
- IUPAC
- 2-(4-chloronaphthalen-1-yl)oxyacetic acid
- English name
- (4-Chloro-1-naphthyl)oxy]acetic acid
- Molecular formula
- C12H9ClO3
- Molecular weight
- 236.653
Names & synonyms
2-((4-Chloronaphthalen-1-yl)oxy)acetic acid2-[(4-chloronaphthalen-1-yl)oxy]acetic acidRefChem:449009882-244-5835-08-5[(4-chloro-1-naphthyl)oxy]acetic acid2-(4-chloronaphthalen-1-yl)oxyacetic acidNSC190653SCHEMBL10745691DTXSID90307292MNLRUNHEJYLLBJ-UHFFFAOYSA-NAAA83508
Show more names
AKOS000118251NSC-190653[(4-chloro-1-naphthalenyl)oxy]acetic acid2-((4-Chloronaphthalen-1-yl)oxy)aceticacidEN300-13951G36394[(4-CHLORONAPHTHALEN-1-YL)OXY]ACETIC ACIDZ65583844
Database identifiers
- CAS
835-08-5- PubChem CID
- 302907
- DTXSID
DTXSID90307292- EC Number
- 882-244-5
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 257
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+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-P305+P351+P338
Related reactions
1 records
Compound notes
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