Basic information
- CAS
613-92-3- Standard SMILES
NC(=NO)c1ccccc1- InChIKey
MXOQNVMDKHLYCZ-UHFFFAOYSA-N- Molecular formula
- C7H8N2O
- Average molar mass
- 136.15 g/mol
Overview
See also: Benzamidoxime (preferred).
Names & identifiers
- Preferred name
- N'-Hydroxybenzenecarboximidamide
- IUPAC
- N'-hydroxybenzenecarboximidamide
- English name
- Benzamidoxime hydrochloride
- Molecular formula
- C7H8N2O
- Molecular weight
- 136.15
Names & synonyms
N'-HydroxybenzenecarboximidamideN'-hydroxybenzamidineN-Hydroxy-benzamidine(Z)-N'-hydroxybenzimidamide69289-27-6BenzamidoximBenzamidoxinebenzene amidoximeMFCD00031485N-hydroxy benzamidineN-hydroxybenzimidamideBenzenecarboxamide oxime
Show more names
BENZAMIDOXIMEBENZAMIDE OXIMEN'-HydroxybenzimidamideAKOS B020566benzenylamidoximeBUTTPARK 52\12-12benzenylaminoxime
Enamine_002687(Z)-N'-hydroxybenzamidineSCHEMBL102483SCHEMBL194059N-hydroxy-benzenecarboximidamideN-hydroxybenzene-carboximidamideSCHEMBL3284107SCHEMBL3582947
Database identifiers
- CAS
613-92-3- PubChem CID
- 69186
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 128
Physicochemical properties
- Melting point
- 77 °C · 77°C
- Boiling point
- 244 ℃ · 244℃
- Density
- 1.18 · 1.18
- Flash point
- 102 ℃ · 102℃
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- Chloroform (Sparingly), Methanol (Slightly)
- form
- powder to crystal
- pka
- 6.85 · 6.85±0.69(Predicted)
- color
- White to Almost white
- InChI
- InChI=1S/C7H8N2O/c8-7(9-10)6-4-2-1-3-5-6/h1-5,10H,(H2,8,9)
- InChIKey
- MXOQNVMDKHLYCZ-UHFFFAOYSA-N
- SMILES
- C1(C(NO)=N)=CC=CC=C1
- LogP
- 1.024 · 1.024
- CAS DataBase Reference
- 613 · 613-92-3(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H319-H335
- Precautionary statements
- 301 · P301+P310+P330-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- Hazard Codes
- Xi,T
- Risk Statements
- 23 · 23/24/25-36/37/38-25-20/21/22
- Safety Statements
- 22 · 22-36/37/39-45-26
- RIDADR
- 2811 · 2811
- WGK Germany
- 3 · 3
- RTECS
- 6920000 · CY6920000
- HazardClass
- IRRITANT
- HS Code
- 29242990 · 29242990
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 OralEye · Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- REACH Registrations
- Active
- Limited Quantities
- 5 kg · 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
Safety data
- wgk
- 3
- rtecs
- CY6920000
- ridadr
- 2811
- hs_code
- 29242990
- risk_code
- 23/24/25-36/37/38-25-20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xi,T
- safety_code
- 22-36/37/39-45-26
- hazard_class
- IRRITANT
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- target organs
- Respiratory system
- Hazard statements
- H301-H315-H319-H335
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P301+P310+P330-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesBenzamide Oxime is used to prepare aryloxadiazoles as apoptosis inducers and anticancer agents. It is also used in the synthesis of aryloxadiazolyltropane analogs of cocaine.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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Additional notes
DefinitionChEBI: A member of the class of amidoximes obtained by formal condensation of the carbonyl group of benzamide with hydroxylamine.
Related reactions
61 records
Compound notes
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