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Home> Hot Product Listed 4   > 4-[(4-Chloro-2-nitrophenyl)azo]-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylic acid ethyl ester
50-33-9 structure

4-[(4-Chloro-2-nitrophenyl)azo]-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylic acid ethyl ester

CAS No.:50-33-9
Molecular Weight:308.3743
Molecular Formula:C9H11NO2 (isomer)
Names and Identifiers
Synonyms

1h-pyrazole-3-carboxylic acid 4-[(4-chloro-2-nitrophenyl)azo]-4,5-dihydro-5-oxo-1-phenyl-,ethyl ester 1h-pyrazole-3-carboxylic acid, 4-((4-chloro-2-nitrophenyl)azo)-4,5-dihydro-5-oxo-1-phenyl-, ethyl ester 1h-pyrazole-3-carboxylic acid, 4-(2-(4-chloro-2-nitrophenyl)diazenyl)-4,5-dihydro-5-oxo-1-phenyl-, ethyl ester 1h-pyrazole-3-carboxylic acid, 4-[(4-chloro-2-nitrophenyl)azo]-4,5-dihydro-5-oxo-1-phenyl-, ethyl ester 1h-pyrazole-3-carboxylic acid, 4-[2-(4-chloro-2-nitrophenyl)diazenyl]-4,5-dihydro-5-oxo-1-phenyl-, ethyl ester AC1L2MJA AC1Q21BM CTK4E1132 ethyl 4-[(4-chloro-2-nitrophenyl)diazenyl]-5-oxo-1-phenyl-4h-pyrazole-3-carboxylate ethyl 4-[2-(4-chloro-2-nitrophenyl)diazen-1-yl]-5-oxo-1-phenyl-4h-pyrazole-3-carboxylate HE067559 HE216736

Inchi
InChI=1/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3
InChkey
VYMDGNCVAMGZFE-UHFFFAOYSA-N
Canonical Smiles
CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3
Properties
Melting Point
104-107℃
Boiling Point
277.5°C at 760 mmHg
Safety and Handling
Risk Statements
R45;R20/21/22;R36/37/38;R42/43
Safety Statements
S53;S22;S26;S36/37/39;S45
HazardClass
6.1(b)
PackingGroup
III
Transport
3249
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Acute toxicity - Dermal, Category 4

Skin irritation, Category 2

Skin sensitization, Category 1

Eye irritation, Category 2

Acute toxicity - Inhalation, Category 4

Respiratory sensitization, Category 1

Specific target organ toxicity \u2013 single exposure, Category 3

Carcinogenicity, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H312 Harmful in contact with skin

H315 Causes skin irritation

H317 May cause an allergic skin reaction

H319 Causes serious eye irritation

H332 Harmful if inhaled

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled

H335 May cause respiratory irritation

H351 Suspected of causing cancer

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.

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.

P284 [In case of inadequate ventilation] wear respiratory protection.

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

Response

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

P330 Rinse mouth.

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

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

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

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

P332+P313 If skin irritation occurs: Get medical advice/attention.

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

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.

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

P342+P311 If experiencing respiratory symptoms: Call a POISON CENTER/doctor/...

P308+P313 IF exposed or concerned: Get medical advice/ attention.

Storage

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

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:308.3743g/mol
  • Molecular Formula:C9H11NO2
  • XLogP3-AA:3.2
  • Exact Mass:308.152478
  • Monoisotopic Mass:308.152478
  • Complexity:389
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:40.6
  • Heavy Atom Count:23
  • 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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  • Fax:0086-27-59524646
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
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