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Home> Hot Product Listed I   > Imidazo[1,2-a]pyridine-2-carboxylicacid, 3-bromo-
23305-68-2 structure

Imidazo[1,2-a]pyridine-2-carboxylicacid, 3-bromo-

Iupac Name:N'-anilino-N-[(4,5-dimethyl-1,3-thiazol-2-yl)imino]benzenecarboximidamide
CAS No.:23305-68-2
Molecular Weight:335.42600
Molecular Formula:C14H13N5O3S (isomer)
Names and Identifiers
Synonyms

3-Bromo-4-hydroimidazo[1,2-a]pyridine-2-carboxylic acid 3-bromoh-imidazo[1,2-a]pyridine-2-carboxylic acid 3-Bromoimidazo[1,2-a]-2-pyridinecarboxylic acid 3-bromoimidazo[1,2-a]pyridine-2-carboxylic acid 3-bromoimidazo[1,2-a]pyridine-2-carboxylic acid hydrate A22008 AJ-42727 AL-182/14819026 DTXSID30583331 EN000904 mfcd22989342 MOLPORT-002-820-856 OPREA1_709546 SCHEMBL10204120 TC-148809 ZINC2578042

Inchi
InChI=1S/C18H17N5S/c1-13-14(2)24-18(19-13)23-22-17(15-9-5-3-6-10-15)21-20-16-11-7-4-8-12-16/h3-12,20H,1-2H3
InChkey
GIFKVQOPAJDJLO-UHFFFAOYSA-N
Canonical Smiles
CC1=C(SC(=N1)N=NC(=NNC2=CC=CC=C2)C3=CC=CC=C3)C
Properties
Melting Point
169 °C
Boiling Point
449.8 °C at 760 mmHg
Vapour
3.53E-09mmHg at 25°C
Refractive Index
1.705
HS Code
2934999090
Safety and Handling
Risk Statements
R36/37/38; R51/53
Safety Statements
S26-S61
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity – 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

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

H400 Very toxic to aquatic life

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

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

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

P273 Avoid release to the environment.

Response

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

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

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

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

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.

P312 Call a POISON CENTER/doctor/…if you feel unwell.

P391 Collect spillage.

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:335.42600g/mol
  • Molecular Formula:C14H13N5O3S
  • Compound Is Canonicalized:True
  • Exact Mass:335.12
  • Monoisotopic Mass:335.12
  • Complexity:441
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:90.2A^2
  • Heavy Atom Count:24
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:1
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB7gABAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHAQYAAAADAiBXgAz0ZJqEAim AyZiZACS9KlhCjgYmBQwZJiIIKLgkZGEIABgmAJIyCcQgAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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