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Home> Encyclopedia >   /  Antibiotic and antimicrobial agents  /  Water Treatment Chemicals  /  Pharmaceutical Intermediates  /  Other Chemicals  /  Organic Intermediate
2-Propanol, 1-amino-3-[(4-azido-2-nitrophenyl)amino]- structure
2-Propanol, 1-amino-3-[(4-azido-2-nitrophenyl)amino]- structure

2-Propanol, 1-amino-3-[(4-azido-2-nitrophenyl)amino]-

Iupac Name:5-chloro-2-methyl-1,2-thiazol-3-one
CAS No.:26172-55-4
Molecular Weight:149.59900
1. Names and Identifiers
1.1 Name
2-Propanol, 1-amino-3-[(4-azido-2-nitrophenyl)amino]-
1.2 CAS No.
26172-55-4
1.3 CID
33344
1.4 Molecular Formula
C12H14N2O2 (isomer)
1.5 Inchi
InChI=1S/C4H4ClNOS/c1-6-4(7)2-3(5)8-6/h2H,1H3
1.6 InChkey
DHNRXBZYEKSXIM-UHFFFAOYSA-N
1.7 Canonical Smiles
CN1C(=O)C=C(S1)Cl
1.8 Isomers Smiles
CN1C(=O)C=C(S1)Cl
2. 3D Conformer
3. Properties
3.1 Melting Point
54-55 deg C
3.2 Vapour
0.328mmHg at 25°C
3.3 Refractive Index
n20/D 1.378
4. Safety and Handling
4.1 Risk Statements
R20/21/22; R34; R43; R50
4.2 Safety Statements
S26-S36/37/39-S45-S60-S61-S24-S28
4.3 HazardClass
8
4.3 PackingGroup
III
4.4 Transport
UN 1760 8/PG 2
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

Acute toxicity - Dermal, Category 3

Skin corrosion, Category 1B

Skin sensitization, Category 1

Serious eye damage, Category 1

Specific target organ toxicity \u2013 single exposure, Category 3

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301+H311 Toxic if swallowed or in contact with skin

H314 Causes severe skin burns and eye damage

H317 May cause an allergic skin reaction

H318 Causes serious eye damage

H335 May cause respiratory irritation

H400 Very toxic to aquatic life

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.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P272 Contaminated work clothing should not be allowed out of the workplace.

P271 Use only outdoors or in a well-ventilated area.

P273 Avoid release to the environment.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

P321 Specific treatment (see ... on this label).

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

P361+P364 Take off immediately all contaminated clothing and wash it before reuse.

P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P363 Wash contaminated clothing before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P310 Immediately call a POISON CENTER/doctor/\u2026

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

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P391 Collect spillage.

Storage

P405 Store locked up.

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

6. Computational chemical data
  • Molecular Weight:149.59900g/mol
  • Molecular Formula:C12H14N2O2
  • Compound Is Canonicalized:True
  • XLogP3-AA:0.9
  • Exact Mass:148.9702126
  • Monoisotopic Mass:148.9702126
  • Complexity:156
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:45.6
  • Heavy Atom Count:8
  • 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
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