Basic information
- CAS
307531-79-9- Standard SMILES
[CH2-]c1ccc(OC)c(OC)c1.[Cl][Zn+]- InChIKey
NSGGLZPCWTUMDD-UHFFFAOYSA-M- Molecular formula
- C9H11ClO2Zn
- Average molar mass
- 252 g/mol
- Monoisotopic mass
- 249.97389947
Names & identifiers
- Preferred name
- Chlorozinc(1+) (3,4-dimethoxyphenyl)methanide
- IUPAC
- chlorozinc(1+);4-methanidyl-1,2-dimethoxybenzene
- English name
- 3,4-DIMETHOXYBENZYLZINC CHLORIDE
- Molecular formula
- C9H11ClO2Zn
- Molecular weight
- 252.03
Names & synonyms
307531-79-9Chlorozinc(1+) (3,4-dimethoxyphenyl)methanideDTXSID90641401RefChem:333906DTXCID005921523,4-dimethoxybenzylzinc chloridechlorozinc(1+);4-methanidyl-1,2-dimethoxybenzeneZinc, chloro[(3,4-dimethoxyphenyl)methyl]-Chloridozinc(1+) (3,4-dimethoxyphenyl)methanide307531-79-9, 3,4-Dimethoxybenzylzinc chloride solution, AKOS016017907, 3,4-Dimethoxybenzylzinc chloride 0.5 M in Tetrahydrofuran3,4-DIMETHOXYBENZYLZINC CHLORIDE, 0.5M S3,4-dimethoxybenzylzinc chloride solution
Show more names
3,4-Dimethoxybenzylzinc chloride solution 0.5 in THF3,4-Dimethoxybenzylzinc chloride solution 0.5 M in THF
Database identifiers
- CAS
307531-79-9- PubChem CID
- 24944166
- DTXSID
DTXSID90641401
Properties
Computed structural properties
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- Boiling point
- 65 °C · 65 °C
- Density
- 0.968 g/mL · 0.968 g/mL at 25 °C
- Flash point
- 1 °F · 1 °F
- storage temp.
- 2 · 2-8°C
- InChI
- 1S/C9H11O2.ClH.Zn/c1-7-4-5-8(10-2)9(6-7)11-3;;/h4-6H,1H2,2-3H3;1H;/q;;+1/p-1
- InChIKey
- QVBFKWSHYBNLNP-UHFFFAOYSA-M
- SMILES
- COc1ccc(C[Zn]Cl)cc1OC
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 225 · H225-H261-H302-H315-H319-H335-H351
- Precautionary statements
- 210 · P210-P231+P232-P280-P370+P378-P402+P404-P403+P235
- target organs
- Central nervous system, Respiratory system
- Hazard Codes
- F,Xn
- Risk Statements
- 11 · 11-19-22-36/38-40-36/37-14
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]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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
- wgk
- 1
- ridadr
- UN 2056 3/PG 2
- risk_code
- 11-19-22-36/38-40-36/37-14
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07,GHS08
- hazard_code
- F,Xn
- safety_code
- 16-26-33-36-36/37
- Storage Class
- 4.3 - Hazardous materials which set free flammable gases upon contact with water
- target organs
- Central nervous system, Respiratory system
- Hazard statements
- H225-H261-H302-H315-H319-H335-H351
- Hazard Classifications
- Acute Tox. 4 OralCarc. 2Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3Water-react 2
- Precautionary statements
- P210-P231+P232-P280-P370+P378-P402+P404-P403+P235
Chemistry & industry
Suppliers6 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]
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 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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