CAS 33719-74-3 3,5-Dichloroanisole (HCID 36588)

Names & identifiers

Preferred name: 3,5-Dichloroanisole
IUPAC: 1,3-dichloro-5-methoxybenzene
English name: 3,5-Dichloroanisole
Molecular formula: C7H6Cl2O
Molecular weight: 177.03

Names & synonyms

3,5-Dichloroanisole33719-74-31,3-Dichloro-5-methoxybenzeneSSNXYMVLSOMJLU-UHFFFAOYSA-DTXSID80187404EINECS 251-655-6RefChem:4867521,3Dichloro5methoxybenzeneDTXCID50109895251-655-6InChI=1/C7H6Cl2O/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3MFCD00000589

Show more names

3.5-Dichloroan3,5-DICHLORANISOL3,5-Dichloroanisole 98%3,5-Dichloroanisole,98%3,5-Dichlorobenzyl etherTOLCLOFOS-METHYL PESTANAL, 250 MG1,3-Dichloro-5-methoxybenzene - [D94412]

1,3-Dichloro-5-methoxy-benzeneBenzene, 1,3-dichloro-5-methoxy-Benzene, 3,5-dichloro-1-methoxy-SCHEMBL12015243PS-52453,5-dichloro a3,5-dichloro anisole3,5-DICHLOROANISOL

Database identifiers

CAS: 33719-74-3
PubChem CID: 36588
DTXSID: DTXSID80187404
EC Number: 251-655-6
Nikkaji: J88.881H

Properties

Computed structural properties

XLogP: 3.8
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: 97.8

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Halogenated Anisoles

SpringerMaterials PropertiesChemical shift

LogP3.74

Vapor Pressure0.16 [mmHg]

Physical DescriptionWhite crystalline powder; [Acros Organics MSDS]

Physicochemical properties

Melting point: 39 · 39-41 °C (dec.) (lit.)
Boiling point: 97 °C · 97°C 7,6mm
Density: 1.289 · 1.289±0.06 g/cm3(Predicted)
Flash point: 223 °F · 223 °F
storage temp.: Refrigerator
solubility: Chloroform, Ethyl Acetate (Slightly), Methanol (Slightly)
form: Solid
color: White to Off-White
BRN: 1936395 · 1936395
Henry's Law Constant: 2.3 · 2.3×10-3 mol/(m3Pa) at 25℃, Pfeifer et al. (2001)
InChI: 1S/C7H6Cl2O/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3
InChIKey: SSNXYMVLSOMJLU-UHFFFAOYSA-N
SMILES: COc1cc(Cl)cc(Cl)c1
CAS DataBase Reference: 33719 · 33719-74-3(CAS DataBase Reference)
NIST Chemistry Reference: 3 · Benzene, 3,5-dichloro-1-methoxy-(33719-74-3)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Hazard Codes: Xn
Risk Statements: 36 · 36/37/38-20/22
Safety Statements: 22 · 22-24/25-37/39-26
WGK Germany: 3 · 3
HS Code: 29093090 · 29093090
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H302 (50%): 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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummaryAn irritant; [Acros Organics MSDS] See Anisole.

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
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

Applications · 2 items

Uses3,5-Dichloroanisole, is a chlorinated anisole derivative, possessing possible antibacterial activity. It is also an organic building block that can be used for the synthesis of chlorinated chemical compounds, such as polychlorinated dibenzofurans (PCDD/F).

General Description3,5-Dichloroanisole on nitration under mild conditions yields 3,5-dichloro-2,4,6-trinitroanisole. The 35Cl Nuclear Quadrupole Resonance (NQR) frequency and spin lattice relaxation time in 3,5-dichloroanisole has been measured.