Basic information
- CAS
622-32-2- Standard SMILES
O/N=C\c1ccccc1- InChIKey
VTWKXBJHBHYJBI-VURMDHGXSA-N- Molecular formula
- C7H7NO
- Average molar mass
- 121.14 g/mol
- Monoisotopic mass
- 121.05276385
Names & identifiers
- Preferred name
- Syn-benzaldehyde oxime
- IUPAC
- (NZ)-N-benzylidenehydroxylamine
- English name
- syn-Benzaldehyde oxime
- Molecular formula
- C7H7NO
- Molecular weight
- 121.14
Names & synonyms
syn-Benzaldehyde oximeRefChem:890101629-590-3622-32-2(Z)-Benzaldehyde oxime(Z)-BenzaldoximeBenzaldehyde, oxime, (Z)-anti-BenzaldoximeBenzaldoxime, (Z)-(NZ)-N-benzylidenehydroxylaminecis-BenzaldoximeYR8F3Q0KSH
Show more names
syn-BenzaldoximeB-BENZALDOXIMEBETA-BENZALDOXIMEBenzaldehyde oxime2Benzaldehyde (Z)-oximeSYN-BENZALDEHYDE OXIME 98%
NSC-154850Z-Benzaldoxime(Z)-BenzaldehydeoximeBenz-anti-aldoximMFCD00063017(E)-benzaldehydeoximeBenzaldehyde, (Z)-Benzaldehyde oxime, cis
Database identifiers
- CAS
622-32-2- PubChem CID
- 5324470
- DTXSID
DTXSID201031547- ChEMBL
CHEMBL265435- UNII
- YR8F3Q0KSH
- Nikkaji
- J1.553.915A、J6.839J
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 95
Physicochemical properties
- Melting point
- 34 · 34-36 °C(lit.)
- Boiling point
- 104 °C6 · 104 °C6 mm Hg(lit.)
- Density
- 1.1111 · 1.1111
- refractive index
- 20 · n20/D 1.591(lit.)
- Flash point
- 228 °F · 228 °F
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- 0.1 g/mL, · methanol: 0.1 g/mL, clear
- pka
- 10.8 · 10.80±0.70(Predicted)
- Dielectric constant
- 3.8 · 3.7999999999999998
- FDA UNII
- 8 F3Q0KSH · YR8F3Q0KSH
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- WGK Germany
- 3 · 3
Safety & regulation
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
Chemistry & industry
Applications
UsesUsed as intermediate of oxacillin.
Upstream & downstream products
Upstream raw materials
Suppliers24 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
广东百科试剂有限公司13532366769 13686183698 · [email protected]
Syntechem Co.,Ltd[email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
Shanghai Safer Pharmaceutical Technology Co., Ltd.021-31761238 · [email protected]
上海宣月科技有限公司15216675652 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
成都海品信医药科技有限公司85114309 18982182443 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
Related reactions
8 records
Compound notes
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