Basic information
- CAS
5470-95-1- Standard SMILES
COc1cccc(C=NO)c1OC- InChIKey
GKAIQNACVNFHCU-UHFFFAOYSA-N- Molecular formula
- C9H11NO3
- Average molar mass
- 181.19 g/mol
- Monoisotopic mass
- 181.07389321
Names & identifiers
- Preferred name
- Benzaldehyde, 2,3-dimethoxy-, oxime
- IUPAC
- N-[(2,3-dimethoxyphenyl)methylidene]hydroxylamine
- English name
- 2,3-Dimethoxybenzaldoxime
- Molecular formula
- C9H11NO3
- Molecular weight
- 181.19
Names & synonyms
5470-95-1Benzaldehyde, 2,3-dimethoxy-, oximeRefChem:3211042,3-Dimethoxybenzaldoxime2,3-dimethoxybenzaldehyde oximeN-[(2,3-dimethoxyphenyl)methylidene]hydroxylamine(Z)-2,3-Dimethoxybenzaldehyde oximeSCHEMBL2161928SCHEMBL30656544DTXSID101293332489445-48-9AKOS030229144
Show more names
Nsc27024o-veratraldehyde,oxime2,3-Dimethoxy-benzaldehyd-oxim(E)-2,3-dimethoxybenzaldehyde oxime(1E)-2,3-dimethoxybenzaldehyde oxime2,3-DIMETHOXY-SYN-BENZALDEHYDE OXIME
DB-019765E78141
Database identifiers
- CAS
5470-95-1- PubChem CID
- 95281
- DTXSID
DTXSID101293332- EC Number
- 676-596-7
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Melting point
- 98 · 98-100°C
- Boiling point
- 293.126 · 293.126±30.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.117 · 1.117±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 2 · 2-8°C, sealed storage, away from moisture
- pka
- 10.78 · 10.780±0.10(predicted)
- Appearance
- Light yellow to yellow Solid
- BRN
- 1953084 · 1953084
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Danger
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- RTECS
- 5089710 · YX5089710
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- rtecs
- YX5089710
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS07
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers24 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
西安美科生物科技有限公司029-18710438009 18710438009 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
天津诺康医药科技有限公司022-23989838 13810451150 · [email protected]
Dr. Silviu Pharmachem Pvt. Ltd+91 (20) 6510-4672 · [email protected]
镇江卡博医药科技有限公司0511-81886918 18136818960 · [email protected]
安阳鸿蒙新材料有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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