Basic information
- CAS
766-51-8- Standard SMILES
COc1ccccc1Cl- InChIKey
QGRPVMLBTFGQDQ-UHFFFAOYSA-N- Molecular formula
- C7H7ClO
- Average molar mass
- 142.58 g/mol
- Monoisotopic mass
- 142.0185425
Names & identifiers
- Preferred name
- 2-Chloroanisole
- IUPAC
- 1-chloro-2-methoxybenzene
- English name
- 2-Chloroanisole
- Molecular formula
- C7H7ClO
- Molecular weight
- 142.58
Names & synonyms
2-ChloroanisoleO-CHLOROANISOLEBenzene, 1-chloro-2-methoxy-ortho-ChloroanisoleEINECS 212-167-9DTXSID1061104RefChem:86447DTXCID0047903212-167-9QGRPVMLBTFGQDQ-UHFFFAOYSA-N1-Chloro-2-methoxybenzene766-51-8
Show more names
1-chloro-2-methoxy-benzen2-Chloroanisol2-Choloroanisolanisole,o-chloro-2-Chloroanisole,98%2-Chloroanisole >
1-chloro-2-methoxy-benzeneAnisole, o-chloro-o-Chloromethoxybenzene2-Chlorophenol methyl ethero-Chlorophenyl methyl etherchloroanisoleMFCD00000557NSC 155175
Database identifiers
- CAS
766-51-8- PubChem CID
- 13011
- DTXSID
DTXSID1061104- UNII
- E2QJ8FL2ZY
- EC Number
- 212-167-9
- Nikkaji
- J32.123K
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 85
Physicochemical properties
- Melting point
- -26.8 °C · -26.8°C
- Boiling point
- 195 · 195-196 °C (lit.)
- Density
- 1.123 g/mL · 1.123 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.545(lit.)
- Flash point
- 169 °F · 169 °F
- storage temp.
- Sealed in dry,Room Temperature
- form
- Liquid
- color
- Clear light yellow
- Water Solubility
- 0.49 g/L · 0.49g/L(25 ºC)
- BRN
- 2042179 · 2042179
- Henry's Law Constant
- 1 · 1.0×10-1 mol/(m3Pa) at 25℃, Pfeifer et al. (2001)
- InChI
- InChI=1S/C7H7ClO/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3
- InChIKey
- QGRPVMLBTFGQDQ-UHFFFAOYSA-N
- SMILES
- C1(Cl)=CC=CC=C1OC
- CAS DataBase Reference
- 766 · 766-51-8(CAS DataBase Reference)
Safety & regulation
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29093090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H227
- Precautionary statements
- P210-P280-P403+P235-P501-P210e-P280a-P370+P378a-P501a
Chemistry & industry
Applications
Uses2-Chloroanisole was used in headspace solid-phase microextraction method for the determination of haloanisoles in wine and spirit samples.
General Description2-Chloroanisole undergoes acetylation with acetic anhydride over large pore zeolites to give 4-acetyl-2-chloroanisole.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
65 records
Compound notes
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