4-Bromo-2-methanidyl-1-methoxybenzene;chlorozinc(1+)
Basic information
- CAS
352530-35-9- Standard SMILES
[CH2-]c1cc(Br)ccc1OC.[Cl][Zn+]- InChIKey
VGKCWJCGDDKRRZ-UHFFFAOYSA-M- Molecular formula
- C8H8BrClOZn
- Average molar mass
- 300.9 g/mol
- Monoisotopic mass
- 297.87385
Overview
See also: Chlorozinc(1+) (5-bromo-2-methoxyphenyl)methanide (preferred).
Names & identifiers
- Preferred name
- 4-Bromo-2-methanidyl-1-methoxybenzene;chlorozinc(1+)
- IUPAC
- 4-bromo-2-methanidyl-1-methoxybenzene;chlorozinc(1+)
- English name
- 5-Bromo-2-methoxybenzylzinc chloride
- Molecular formula
- C8H8BrClOZn
- Molecular weight
- 300.9
Names & synonyms
4-bromo-2-methanidyl-1-methoxybenzene;chlorozinc(1+)5-BROMO-2-METHOXYBENZYLZINC CHLORIDEChloridozinc(1+) (5-bromo-2-methoxyphenyl)methanide352530-35-9, 5-Bromo-2-methoxybenzylzinc chloride solution, AKOS016017909, 5-Bromo-2-methoxybenzylzinc chloride 0.5 M in Tetrahydrofuran5-bromo-2-methoxybenzylzinc chloride solution5-Bromo-2-methoxybenzylzinc chloride solution 0.5 in THF5-Bromo-2-methoxybenzylzinc chloride solution 0.5M in THF5-Bromo-2-methoxybenzylzinc chloride 0.5 M in Tetrahydrofuran5-BROMO-2-METHOXYBENZYLZINC CHLORIDE, 0.5M SOLUTION IN TETRAHYDROFURAN
Database identifiers
- CAS
352530-35-9- PubChem CID
- 24944167
- DTXSID
DTXSID50641402
Properties
Computed structural properties
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 107
Physicochemical properties
- Flash point
- -17 °C · -17 °C
- storage temp.
- 2 · 2-8°C
- InChI
- 1S/C8H8BrO.ClH.Zn/c1-6-5-7(9)3-4-8(6)10-2;;/h3-5H,1H2,2H3;1H;/q;;+1/p-1
- InChIKey
- RYJPUAHIDAORNN-UHFFFAOYSA-M
- SMILES
- COc1ccc(Br)cc1C[Zn]Cl
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS05,GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 225 · H225-H302-H314-H335-H351
- Precautionary statements
- 210 · P210-P260-P280-P305+P351+P338-P370+P378-P403+P235
- target organs
- Central nervous system, Respiratory system
- Hazard Codes
- F,Xn,C
- Risk Statements
- 11 · 11-19-20/21/22-36/37/38-40-37-34-14
- Safety Statements
- 16 · 16-26-33-36/37-45-36/37/39
- RIDADR
- 2056 · UN 2056 3/PG 2
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 1
- ridadr
- UN 2056 3/PG 2
- risk_code
- 11-19-20/21/22-36/37/38-40-37-34-14
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS07,GHS08
- hazard_code
- F,Xn,C
- safety_code
- 16-26-33-36/37-45-36/37/39
- Storage Class
- 3 - Flammable liquids
- target organs
- Central nervous system, Respiratory system
- Hazard statements
- H225-H302-H314-H335-H351
- Hazard Classifications
- Acute Tox. 4 OralCarc. 2Eye Dam. 1Flam. Liq. 2Skin Corr. 1BSTOT SE 3
- Precautionary statements
- P210-P260-P280-P305+P351+P338-P370+P378-P403+P235
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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