CAS 1984-59-4 2,3-Dichloroanisole (HCID 16126)

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Basic information

CAS: 1984-59-4
Standard SMILES: COc1cccc(Cl)c1Cl
InChIKey: HFEASCCDHUVYKU-UHFFFAOYSA-N
Molecular formula: C7H6Cl2O
Average molar mass: 177.02 g/mol
Monoisotopic mass: 175.97957017

Names & identifiers

Preferred name: 2,3-Dichloroanisole
IUPAC: 1,2-dichloro-3-methoxybenzene
English name: 2,3-Dichloroanisole
Molecular formula: C7H6Cl2O
Molecular weight: 177.03

Names & synonyms

2,3-Dichloroanisole1984-59-41,2-Dichloro-3-methoxybenzeneBenzene, 1,2-dichloro-3-methoxy-EINECS 217-853-1DTXSID1062095RefChem:442046DTXCID7036169217-853-1MFCD00000545Anisole, 2,3-dichloro-2,3-Dichloromethoxybenzene

Show more names

2,3-DICHLORANISOLDICHLOROANISOLE(2,3-)2,3-Dichloroanisole>Miconazole Impurity 112,3-Dichloroanisole,96%2,3-DICHLOROANISOLE, 97+%2,3-Dichloroanisole, ≥ 97.0%1,2-dichloro-3-methoxy-benzen

1,2-Dichloro-3-methoxy-benzenedichloroanisol2,3-dichloro-anisol2,3-dichloro anisolePTV27TW69QSCHEMBL78713SCHEMBL221144SCHEMBL315903

Database identifiers

CAS: 1984-59-4
PubChem CID: 16126
DTXSID: DTXSID1062095
UNII: PTV27TW69Q
EC Number: 217-853-1
Nikkaji: J32.125G

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 108

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

LogP3.3

Physicochemical properties

Melting point: 31 · 31-33 °C(lit.)
Boiling point: 115 · 115-116°C 12mm
Density: 1.297 · 1.2970 (rough estimate)
refractive index: 1.543 · 1.5430 (estimate)
Flash point: 230 °F · >230 °F
storage temp.: Inert atmosphere,Room Temperature
solubility: Chloroform, Methanol
form: Solid
color: Off-White
Water Solubility: Soluble in water (86.9 mg/L).
BRN: 1909166 · 1909166
Henry's Law Constant: 2.2 · 2.2×10-2 mol/(m3Pa) at 25℃, Pfeifer et al. (2001)

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.

Warning

H302+H312 (20%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (60%)

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
tsca: TSCA listed
hs_code: 29093090
risk_code: 36/37/38-20/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 22-24/25-37/39-26
Storage Class: 11 - Combustible Solids
Hazard statements: H302-H315-H319-H332-H335
Precautionary statements: P261-P280-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzene, 1,2-dichloro-3-methoxy-: INACTIVE

Applications

UsesThe product has been used to develop an analytical method for the determination of biogenic halogenated anisoles in the picogram/m3 range in air.