1,2-Dichloro-4-methoxybenzene
Basic information
- CAS
36404-30-5- Standard SMILES
COc1ccc(Cl)c(Cl)c1- InChIKey
VISJRVXHPNMYRH-UHFFFAOYSA-N- Molecular formula
- C7H6Cl2O
- Average molar mass
- 177.02 g/mol
- Monoisotopic mass
- 175.9795702
Names & identifiers
- Preferred name
- 1,2-Dichloro-4-methoxybenzene
- IUPAC
- 1,2-dichloro-4-methoxybenzene
- English name
- 3,4-Dichloroanisole
- Molecular formula
- C7H6Cl2O
- Molecular weight
- 177.03
Names & synonyms
1,2-DICHLORO-4-METHOXYBENZENERefChem:411594609-241-13,4-Dichloroanisole36404-30-5Benzene, 1,2-dichloro-4-methoxy-MFCD000707853,4-Dichloroanizole1,2-Dichloro-4-methoxy-benzeneSCHEMBL11453164,5-dichlorophenyl methyl etherSCHEMBL13322153
Show more names
3,4-Dichloroanisole,98%3,4-Dichloroanisole, 99+%3,4-DICHLOROMETHOXYBENZENE1,2-DICHLORO-4-METHYXYBENZENEBenzene, 1,2-dichloro-4-methoxy
DTXSID601899263,4-dichlorophenol,SCHEMBL1028624SCHEMBL1145315SCHEMBL2350204SCHEMBL2351365SCHEMBL297684493,4-Dichlorophenol, methyl ether
Database identifiers
- CAS
36404-30-5- PubChem CID
- 37438
- DTXSID
DTXSID60189926- EC Number
- 609-241-1
- Nikkaji
- J89.110J
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 9.2 Ų
- 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
LogP3.55
Physicochemical properties
- Melting point
- -8 · -8--7°C
- Boiling point
- 200 · 200-204°C
- Density
- 1 · 1,33 g/cm3
- refractive index
- 1.556 · 1.556-1.558
- Flash point
- 200 · 200-204°C
- storage temp.
- Sealed in dry,Room Temperature
- form
- Liquid
- color
- Clear light yellow
- BRN
- 775080 · 775080
- Henry's Law Constant
- 9.2 · 9.2×10-3 mol/(m3Pa) at 25℃, Pfeifer et al. (2001)
- CAS DataBase Reference
- 36404 · 36404-30-5(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07,GHS08
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
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, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- hs_code
- 29093090
- risk_code
- 36/37/38-20/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08
- hazard_code
- Xn
- safety_code
- 37/39-26-23
- Hazard statements
- H302-H320-H373-H351-H402
- Precautionary statements
- P501-P273-P260-P270-P202-P201-P264-P280-P308+P313-P337+P313-P305+P351+P338-P301+P312+P330-P405
Related reactions
3 records
Compound notes
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