Basic information
- CAS
50638-47-6- Standard SMILES
COc1ccc(Br)cc1Cl- InChIKey
FPIQNBOUYZLESW-UHFFFAOYSA-N- Molecular formula
- C7H6BrClO
- Average molar mass
- 221.48 g/mol
- Monoisotopic mass
- 219.92905459
Names & identifiers
- Preferred name
- 4-Bromo-2-chloroanisole
- IUPAC
- 4-bromo-2-chloro-1-methoxybenzene
- English name
- 4-BROMO-2-CHLOROANISOLE
- Molecular formula
- C7H6BrClO
- Molecular weight
- 221.48
Names & synonyms
50638-47-64-Bromo-2-chloroanisoleEINECS 256-672-2DTXSID70198680RefChem:519619DTXCID30121171256-672-24-bromo-2-chloro-1-methoxybenzene2-Chloro-4-bromoanisoleMFCD001280761-Bromo-3-chloro-4-methoxybenzene4-Bromo-2-chloro-1-methoxy-benzene
Show more names
2-chloro-4-Bromo-1-methoxy-benzene
3-Chloro-4-methoxyphenyl bromideBenzene,4-bromo-2-chloro-1-methoxy-Methyl(2-chloro-4-bromophenyl) etherChloro-4-bromoanisoleSCHEMBL858370SCHEMBL1097066SCHEMBL29134461SCHEMBL30424732
Database identifiers
- CAS
50638-47-6- PubChem CID
- 3016537
- DTXSID
DTXSID70198680- EC Number
- 256-672-2
- Nikkaji
- J261.571A
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
- 110
Experimental & physicochemical properties
LogP3.77
Physicochemical properties
- Melting point
- 68.5 · 68.5-70.5°C
- Boiling point
- 242 ℃ · 242℃
- Density
- 1.564 · 1.564
- Flash point
- 100 ℃ · 100℃
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- Off-white to pale purple Solid
- Henry's Law Constant
- 1.3 · 1.3×10-2 mol/(m3Pa) at 25℃, Pfeifer et al. (2001)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2909309090 · 2909309090
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
Warning
H302 (100%): 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
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2909309090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses4-Bromo-2-chloro-1-methoxybenzene is used in the preparation of allosteric inhibitors hepatitis C polymerase in the form of dihydropyrones. Also used in the discovery of 5-HT6 reveptor ligands affecting serotonin levels and potential application to neuropsychopharmacology.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers74 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
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Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
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江西弗莱医药科技有限公司15870833005 · [email protected]
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湖北创联康成药物化学有限公司027-65388397 18164111589 · [email protected]
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东阳市求索医药科技有限公司17502510579 · [email protected]
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湖北威德利化学试剂有限公司15871722230 · [email protected]
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Related reactions
22 records
Compound notes
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