Basic information
- Standard SMILES
[CH2-]c1ccc(C)cc1.[Cl][Zn+]- InChIKey
GEWUULKDXWVRPH-UHFFFAOYSA-M- Molecular formula
- C8H9ClZn
- Average molar mass
- 206 g/mol
- Monoisotopic mass
- 203.96842017
Overview
See also: 4-Methylbenzylzinc chloride solution (preferred).
Names & identifiers
- Preferred name
- 4-Methylbenzylzinc chloride
- IUPAC
- chlorozinc(1+);1-methanidyl-4-methylbenzene
- English name
- 4-Methylbenzylzinc chloride
- Molecular formula
- C8H9ClZn
- Molecular weight
- 205.99
Names & synonyms
4-methylbenzylzinc chloridechlorozinc(1+);1-methanidyl-4-methylbenzeneChloridozinc(1+) (4-methylphenyl)methanide4-methylbenzylzinc chloride solutionchlorozinc(1+),1-methanidyl-4-methylbenzene4-Methylbenzylzinc chloride solution 0.5 in THF4-Methylbenzylzinc chloride solution 0.5 M in THF4-Methylbenzylzinc chloride 0.5 M in Tetrahydrofuran4-Methylbenzylzinc chloride, 0.50 M in THF - [M73661]4-METHYLBENZYLZINC CHLORIDE, 0.5M SOLUTI ON IN TETRAHYDROFURAN
Database identifiers
- CAS
312693-21-3- PubChem CID
- 6093654
- DTXSID
DTXSID00399441
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 60.4
Physicochemical properties
- Density
- 0.946 g/mL · 0.946 g/mL at 25 °C
- Flash point
- 1 °F · 1 °F
- storage temp.
- 2 · 2-8°C
- InChI
- 1S/C8H9.ClH.Zn/c1-7-3-5-8(2)6-4-7;;/h3-6H,1H2,2H3;1H;/q;;+1/p-1
- InChIKey
- WWXZVYWATQAWGC-UHFFFAOYSA-M
- SMILES
- Cc1ccc(C[Zn]Cl)cc1
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 225 · H225-H302-H319-H335-H351
- Precautionary statements
- 210 · P210-P280-P301+P312+P330-P305+P351+P338-P370+P378-P403+P235
- target organs
- Central nervous system, Respiratory system
- Hazard Codes
- F,Xn
- Risk Statements
- 14 · 14-19-22-36/38-40-36/37-11
- 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
- 2 Eye · Carc. 2Eye Irrit. 2Flam. Liq. 2STOT SE 3
Safety & regulation
Safety data
- wgk
- 1
- ridadr
- UN 2056 3/PG 2
- risk_code
- 14-19-22-36/38-40-36/37-11
- Signal word
- Danger
- Symbol(GHS)
- GHS02,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
- H225-H302-H319-H335-H351
- Hazard Classifications
- Carc. 2Eye Irrit. 2Flam. Liq. 2STOT SE 3
- Precautionary statements
- P210-P280-P301+P312+P330-P305+P351+P338-P370+P378-P403+P235
Chemistry & industry
Suppliers9 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
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]
上海伟聂化工科技有限公司15902145085 · [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]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
重庆卡兰医药有限公司[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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