2-Chloro-6-methoxybenzoic acid
Basic information
- CAS
3260-89-7- Standard SMILES
COc1cccc(Cl)c1C(=O)O- InChIKey
JUOHBAJZQDTICO-UHFFFAOYSA-N- Molecular formula
- C8H7ClO3
- Average molar mass
- 186.59 g/mol
- Monoisotopic mass
- 186.0083718
Names & identifiers
- Preferred name
- 2-Chloro-6-methoxybenzoic acid
- IUPAC
- 2-chloro-6-methoxybenzoic acid
- English name
- 2-chloro-6-methoxybenzoic acid
- Molecular formula
- C8H7ClO3
- Molecular weight
- 186.59
Names & synonyms
2-Chloro-6-methoxybenzoic acid3260-89-7EINECS 221-863-1DTXSID40186296RefChem:86340DTXCID50108787221-863-1MFCD00127702Benzoic acid, 2-chloro-6-methoxy-2-Chloro-6-methoxy-benzoic acid2-chloro-6-methoxybenzoicacid2-chloro-6-(methyloxy)benzoic acid
Show more names
2-Methoxy-6-chlorobenzoic acid6-Chloro-o-anisic acid (COOH=1)
7FYV6SSF8SSCHEMBL696000AKOS000264363CS-W005183FS-2770AC-24329SY035408DB-011391
Database identifiers
- CAS
3260-89-7- PubChem CID
- 76750
- DTXSID
DTXSID40186296- UNII
- 7FYV6SSF8S
- EC Number
- 221-863-1
- Nikkaji
- J262.361G
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Melting point
- 141 °C · 141 °C
- Boiling point
- 304.6 · 304.6±22.0 °C(Predicted)
- Density
- 1.352 · 1.352±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- solid
- pka
- 2.87 · 2.87±0.10(Predicted)
- Appearance
- White to off-white Solid
- InChI
- 1S/C8H7ClO3/c1-12-6-4-2-3-5(9)7(6)8(10)11/h2-4H,1H3,(H,10,11)
- InChIKey
- JUOHBAJZQDTICO-UHFFFAOYSA-N
- SMILES
- ClC1=C(C(O)=O)C(OC)=CC=C1
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 21 · NA.21
- 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
Danger
H301 (25%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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)
Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (25%)
Safety data
- wgk
- WGK 3
- hs_code
- 2918999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 3 Oral
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses2-chloro-6-methoxybenzoic acid can be used as a versatile intermediate in the synthesis of various organic compounds.
Upstream & downstream products
Downstream products
Suppliers
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Related reactions
2 records
Compound notes
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