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Home> Encyclopedia >   /  Carbonate  /  Pharmaceutical Intermediates  /  Organic Intermediate  /  Other Organic Chemicals  /  Others
3-Carboxy-4-chloro-benzenediazonium Chloride structure
3-Carboxy-4-chloro-benzenediazonium Chloride structure

3-Carboxy-4-chloro-benzenediazonium Chloride

Iupac Name:1,3-dioxolan-2-one
CAS No.:96-49-1
Molecular Weight:88.062
1. Names and Identifiers
1.1 Name
3-Carboxy-4-chloro-benzenediazonium Chloride
1.2 CAS No.
96-49-1
1.3 CID
7303
1.4 Inchi
InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2
1.5 InChkey
KMTRUDSVKNLOMY-UHFFFAOYSA-N
1.6 Canonical Smiles
C1COC(=O)O1
1.7 Isomers Smiles
C1COC(=O)O1
2. Properties
3.1 Density
1.32±0.1 g/cm3(Predicted)
3.1 Melting point
34-37℃
3.1 Refractive index
1.4148 (50 C)
3.1 Vapour pressure
0.02 mm Hg ( 36.4 °C)
3.1 Precise Quality
88.01600
3.1 PSA
35.53000
3.1 logP
0.15320
3. Safety and Handling
4.1 Symbol
GHS07, GHS08
4.1 Signal Word
Warning
4.1 Risk Statements
R41
4.1 Safety Statements
S26;S39
4.1 Hazard Declaration
H302-H319-H373
4.1 RIDADR
UN 2265 3 / PGIII
4.1 Caution Statement
P260-P301 + P312 + P330-P305 + P351 + P338
4.1 WGK Germany
1
4.1 RTECS
FF9550000
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Eye irritation, Category 2

Specific target organ toxicity \u2013 repeated exposure, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H319 Causes serious eye irritation

H373 May cause damage to organs through prolonged or repeated exposure

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

P314 Get medical advice/attention if you feel unwell.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

5. Other Information
5.0 Uses
3-?Carboxy-?4-?chloro-benzenediazonium Chloride is an intermediate in synthesizing 4-Dehydroxy-4-chloro Olsalazine (D229830), an impurity of Olsalazine sodium salt (O586000). Olsalazine Sodium Salt is a dimer of Mesalazine (M258100), an anti-inflammatory drug used in the treatment of inflammatory bowel disease and ulcerative colitis.
6. Computational chemical data
  • Molecular Weight:88.062g/mol
  • Molecular Formula:
  • Compound Is Canonicalized:True
  • XLogP3-AA:0.3
  • Exact Mass:88.016043985
  • Monoisotopic Mass:88.016043985
  • Complexity:60.4
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:35.5
  • Heavy Atom Count:6
  • 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
7. Question & Answer
  • APAC is the largest and fastest-growing ethylene carbonate market, owing to its increasing usage in various end-use industries, such as oil & gas, automotive, industrial, and medical
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