benzyl-(4-nitro-1-oxy-pyridazin-3-yl)-amine
- Iupac Name：1-hydroxybenzotriazole
- CAS No.: 2592-95-2
- Molecular Weight：135.126
- Modify Date.: 2022-03-27 02:37
1. Names and Identifiers
- 1.1 Name
- benzyl-(4-nitro-1-oxy-pyridazin-3-yl)-amine
- 1.2 Synonyms
Benzyl-(4-nitro-1-oxy-pyridazin-3-yl)-amine
- 1.3 CAS No.
- 2592-95-2
- 1.4 CID
- 75771
- 1.5 Molecular Formula
- C7H8FNO (isomer)
- 1.6 Inchi
- InChI=1S/C6H5N3O/c10-9-6-4-2-1-3-5(6)7-8-9/h1-4,10H
- 1.7 InChkey
- ASOKPJOREAFHNY-UHFFFAOYSA-N
- 1.8 Canonical Smiles
- C1=CC=C2C(=C1)N=NN2O
- 1.9 Isomers Smiles
- C1=CC=C2C(=C1)N=NN2O
2. Properties
- 3.1 Melting point
- 156-159℃
- 3.1 Refractive index
- n20/D 1.488
- 3.1 Vapour pressure
- 3.28E-05mmHg at 25°C
- 3.1 Precise Quality
- 135.04300
- 3.1 PSA
- 61.80000
- 3.1 logP
- 0.66350
3. Safety and Handling
- 4.1 Risk Statements
- R11;R5
- 4.1 Safety Statements
- S16;S33;S7/9
- 4.1 Packing Group
- III
- 4.1 Hazard Class
- 4.1
- 4.1 RIDADR
- 1325
- 4.1 RTECS
- DM1288000
4. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Explosives, Division 1.3
2.2 GHS label elements, including precautionary statements
| Pictogram(s) |  |
| Signal word | Danger |
| Hazard statement(s) | H203 Explosive; fire, blast or projection hazard |
| Precautionary statement(s) | |
| Prevention | P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking. P230 Keep wetted with \u2026 P234 Keep only in original packaging. P240 Ground and bond container and receiving equipment. P250 Do not subject to grinding/shock/friction/\u2026. P280 Wear protective gloves/protective clothing/eye protection/face protection. |
| Response | P370+P372+P380+P373 In case of fire: Explosion risk. Evacuate area. DO NOT fight fire when fire reaches explosives. |
| Storage | P401 Store in accordance with\u2026 |
| Disposal | P501 Dispose of contents/container to ... |
2.3 Other hazards which do not result in classification
none
5. Computational chemical data
- Molecular Weight: 135.126g/mol
- Molecular Formula: C7H8FNO
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 135.043261791
- Monoisotopic Mass: 135.043261791
- Complexity: 130
- Rotatable Bond Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Topological Polar Surface Area: 50.9
- Heavy Atom Count: 10
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADcYBjIAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHAAMCAAACAiBFgAwwLAQAACiASRiQACCBAQgEgA4mCAwdJgIYKKAkZGAIABggAAIyAcQAAAAAAAAAAAAACAAAAAAAAAAQAAAAAAAAA==
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7. Realated Product Infomation
skype
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