Basic information
- Standard SMILES
[CH2-]c1cccc(OC)c1.[Cl][Zn+]- InChIKey
MRTOLABRGUSXMD-UHFFFAOYSA-M- Molecular formula
- C8H9ClOZn
- Average molar mass
- 222 g/mol
- Monoisotopic mass
- 219.96333479
Overview
See also: 3-Methoxybenzylzinc chloride solution (preferred).
Names & identifiers
- Preferred name
- 3-Methoxybenzylzinc chloride
- IUPAC
- chlorozinc(1+);1-methanidyl-3-methoxybenzene
- English name
- 3-Methoxybenzylzinc chloride
- Molecular formula
- C8H9ClOZn
- Molecular weight
- 222
Names & synonyms
3-methoxybenzylzinc chloridechlorozinc(1+);1-methanidyl-3-methoxybenzeneChloridozinc(1+) (3-methoxyphenyl)methanide312693-16-6, 3-Methoxybenzylzincchloride, 3-methoxybenzylzinc chloride, CTK4G6728, AG-F-03842, Zinc,chloro[(3-methoxyphenyl)methyl]-, KB-1834603-methoxybenzylzinc chloride solutionZinc,chloro[(3-methoxyphenyl)methyl]-chlorozinc(1+),1-methanidyl-3-methoxybenzene3-Methoxybenzylzinc chloride solution 0.5 in THF3-Methoxybenzylzinc chloride solution 0.5 M in THF3-Methoxybenzylzinc chloride, 0.50 M in THF - [M73669]3-METHOXYBENZYLZINC CHLORIDE, 0.5M SOLUT ION IN TETRAHYDROFURAN
Database identifiers
- CAS
312693-16-6- PubChem CID
- 6099457
- DTXSID
DTXSID80392990
Properties
Computed structural properties
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 82.6
Physicochemical properties
- Density
- 0.96 g/mL · 0.96 g/mL at 25 °C
- Flash point
- 1 °F · 1 °F
- storage temp.
- 2 · 2-8°C
- InChI
- 1S/C8H9O.ClH.Zn/c1-7-4-3-5-8(6-7)9-2;;/h3-6H,1H2,2H3;1H;/q;;+1/p-1
- InChIKey
- JHGABGHCJFDTCT-UHFFFAOYSA-M
- SMILES
- COc1cccc(C[Zn]Cl)c1
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H351
- Precautionary statements
- 261 · P261-P281-P305+P351+P338
- target organs
- Central nervous system, Respiratory system
- Hazard Codes
- F,Xn
- Risk Statements
- 14 · 14-19-22-36/38-40-36/37
- Safety Statements
- 16 · 16-26-33-36-36/37
- RIDADR
- 2056 · UN 2056 3/PG 2
- WGK Germany
- 1 · 1
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 4 OralCarc · Acute Tox. 4 OralCarc. 2Eye Irrit. 2Flam. Liq. 2STOT SE 3
Safety & regulation
Safety data
- wgk
- 1
- ridadr
- UN 2056 3/PG 2
- risk_code
- 14-19-22-36/38-40-36/37
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08
- hazard_code
- F,Xn
- safety_code
- 16-26-33-36-36/37
- Storage Class
- 3 - Flammable liquids
- target organs
- Central nervous system, Respiratory system
- Hazard statements
- H319-H335-H351
- Hazard Classifications
- Acute Tox. 4 OralCarc. 2Eye Irrit. 2Flam. Liq. 2STOT SE 3
- Precautionary statements
- P261-P281-P305+P351+P338
Chemistry & industry
Suppliers9 total
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
黄石市博尔化工有限公司0714-6401888 18671400300 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
Aladdin Scientific[email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
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Linked notes
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