4-(N-PHTHALIMIDYL)BENZOLSULFONYL CHLORID
- Iupac Name:(3S)-3-(aminomethyl)-5-methylhexanoic acid
- CAS No.: 148553-50-8
- Molecular Weight:159.22608
- Modify Date.: 2022-04-13 16:48
- Introduction: Fluorescent labelling reagent for sensitive detection of phenol, p-cresol (known as promotors of skin tumors and other interesting impacts) and amino acids in HPLC. 4-(N-PHTHALIMIDYL)BENZOLSULFONYL CHLORIDSupplier
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1. Names and Identifiers
- 1.1 Name
- 4-(N-PHTHALIMIDYL)BENZOLSULFONYL CHLORID
- 1.2 Synonyms
(1,3-dihydro-1-oxo-2h-isoindol-2-yl)-4-benzenesulfonyl chloride 4-(n-phthalimidinyl)benzenesulfonyl chloride 4-(N-Phthalimidyl)-benzensulfonyl chloride 4-(N-PHTHALIMIDYL)BENZOLSULFONYL CHLORID 4-(n-Phthalimidyl)benzolsulfonylchloride] Phisyl chloride, (1,3-Dihydro-1-oxo-2H-isoindol-2-yl)-4-benzenesulfonyl chloride Physil chloride
- 1.3 CAS No.
- 148553-50-8
- 1.4 CID
- 5486971
- 1.5 Molecular Formula
- C9H17NO2 (isomer)
- 1.6 Inchi
- InChI=1S/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1
- 1.7 InChkey
- AYXYPKUFHZROOJ-ZETCQYMHSA-N
- 1.8 Canonical Smiles
- CC(C)CC(CC(=O)O)CN
- 1.9 Isomers Smiles
- CC(C)C[C@@H](CC(=O)O)CN
2. Properties
- 3.1 Melting point
- 194-196°C
- 3.1 Refractive index
- 1.464
- 3.1 Flash Point
- 177.908°C
- 3.1 Vapour pressure
- 0.00153mmHg at 25°C
- 3.1 Precise Quality
- 159.12600
- 3.1 PSA
- 63.32000
- 3.1 logP
- 1.78240
- 3.1 StorageTemp
- −20°C
3. Use and Manufacturing
- 4.1 Usage
- Fluorescent labelling reagent for sensitive detection of phenol, p-cresol (known as promotors of skin tumors and other interesting impacts) and amino acids in HPLC. 4-(N-PHTHALIMIDYL)BENZOLSULFONYL CHLORIDSupplier
4. Safety and Handling
- 5.1 Symbol
- GHS05;GHS08;
- 5.1 Signal Word
- DANGER
- 5.1 Risk Statements
- 63-48/22-39/23/24/25-23/24/25-11
- 5.1 Safety Statements
- 22-36/37-45-16-7
- 5.1 Hazard Declaration
- H318; H361
- 5.1 RIDADR
- UN1230 - class 3 - PG 2 - Methanol, solution
- 5.1 Caution Statement
- P280-P305 + P351 + P338
- 5.1 WGK Germany
- 3
- 5.1 Safety
- Hazard Codes XiRisk Statements 36/37/38Safety Statements 26-36WGK Germany 3
F 10-21
5. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Serious eye damage, Category 1
Reproductive toxicity, Category 2
Specific target organ toxicity \u2013 repeated exposure, Category 2
2.2 GHS label elements, including precautionary statements
Pictogram(s) | |
Signal word | Danger |
Hazard statement(s) | H318 Causes serious eye damage H361 Suspected of damaging fertility or the unborn child H373 May cause damage to organs through prolonged or repeated exposure |
Precautionary statement(s) | |
Prevention | P280 Wear protective gloves/protective clothing/eye protection/face protection. P201 Obtain special instructions before use. P202 Do not handle until all safety precautions have been read and understood. P260 Do not breathe dust/fume/gas/mist/vapours/spray. |
Response | P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P310 Immediately call a POISON CENTER/doctor/\u2026 P308+P313 IF exposed or concerned: Get medical advice/ attention. P314 Get medical advice/attention if you feel unwell. |
Storage | P405 Store locked up. |
Disposal | P501 Dispose of contents/container to ... |
2.3 Other hazards which do not result in classification
none
6. Other Information
- 6.0 Uses
- Fluorescent labelling reagent for sensitive detection of phenol, p-cresol (known as promotors of skin tumors and other interesting impacts) and amino acids in HPLC.
7. Computational chemical data
- Molecular Weight: 159.22608g/mol
- Molecular Formula: C9H17NO2
- Compound Is Canonicalized: True
- XLogP3-AA: -1.6
- Exact Mass: 159.125928785
- Monoisotopic Mass: 159.125928785
- Complexity: 123
- Rotatable Bond Count: 5
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Topological Polar Surface Area: 63.3
- Heavy Atom Count: 11
- Defined Atom Stereocenter Count: 1
- 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: AAADceByMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAADQDBgAQCCABAAgAIAACQCAAAAAAAAAAAAIEAAAAAABIAgAAAQAAEEAAAAAG8SBAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
9. Realated Product Infomation