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Home> Encyclopedia > Hot Product Listed 2   > 2-Pyridinecarboxylicacid, 3-chloro-5-(trifluoromethyl)-, ethyl ester
58971-11-2 structure

2-Pyridinecarboxylicacid, 3-chloro-5-(trifluoromethyl)-, ethyl ester

Iupac Name:2-(3-bromophenyl)ethanamine
CAS No.:58971-11-2
Molecular Weight:200.079
Molecular Formula:C10H11BO4 (isomer)
Names and Identifiers
Synonyms

12Z-0604 2-pyridinecarboxylic acid, 3-chloro-5-(trifluoromethyl)-, ethyl ester 3- chloro -5- three fluoromethyl pyridine -2- formate 3-Chloro-2-(ethoxycarbonyl)-5-(trifluoromethyl)pyridine, Ethyl 3-chloro-5-(trifluoromethyl)picolinate 3-chloro-5-(trifluoromethyl)-2-pyridinecarboxylic acid ethyl ester 3-Chloro-5-(trifluoroMethyl)2-pyridinecarboxylic acid ethyl ester 3-chloro-5-(trifluoromethyl)picolinic acid ethyl ester 3-chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid ethyl ester 3-chloro-5-trifluoromethyl-2-pyridinecarboxylic acid ethyl ester 3-Chloro-5-trifluoromethylpyridine-2-carboxylic acid ethyl ester 4CH-000952 5400AA A15185 AB0002373 AC1Q32YL AJ-60779 ak-55996 AKOS005069722 AX8078503 bys062 chloro-5-trifluoromethyl-pyridine-2-carboxylic acid ethyl ester CJ-13759 COMQYNZHBCNPNW-UHFFFAOYSA-N CS-W014615 DTXSID20621493 E1202 EN300-73622 ethyl 3-chloro-5-(trifluoromethyl)-2-pyridinecarboxylate ethyl 3-chloro-5-(trifluoromethyl)picolinate ethyl 3-chloro-5-(trifluoromethyl)pyridine-2-carboxylate ethyl 3-chloro-5-trifluoromethyl-2-pyridinecarboxylate ethyl 3-chloro-5trifluoromethyl-2-pyridinecarboxylate ethyl 5-(trifluoromethyl)-3-chloropyridine-2-carboxylate ethyl 5-trifluoromethyl-3-chloropyridine-2-carboxylate Ethyl5-(trifluoromethyl)-3-chloropyridine-2-carboxylate FT-0083703 GEO-03228 HE023672 K-3985 mfcd06656414 MOLPORT-001-776-974 pc7620 Q-101511 RP14401 RTC-062568 SCHEMBL709544 ST2415644 ST2419334 SY022679 TC-062568 TRA-0184113 VP11517 ZINC12336316 zx-ap001660

Inchi
InChI=1S/C8H10BrN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4-5,10H2
InChkey
ORHRHMLEFQBHND-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=CC(=C1)Br)CCN
Properties
Density
1.292
Boiling Point
46 °C
Refractive Index
1.5740
Flash Point
116.952°C
HS Code
2921499090
Safety and Handling
Risk Statements
R34
Safety Statements
S26;S36/37/39;S45
Transport
UN 2735
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin corrosion, Category 1B

Serious eye damage, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H314 Causes severe skin burns and eye damage

Precautionary statement(s)
Prevention

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

P264 Wash ... thoroughly after handling.

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

Response

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

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

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

Storage

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:200.079g/mol
  • Molecular Formula:C10H11BO4
  • Compound Is Canonicalized:True
  • Exact Mass:199
  • Monoisotopic Mass:199
  • Complexity:95.3
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:26A^2
  • Heavy Atom Count:10
  • 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
  • CACTVS Substructure Key Fingerprint: AAADccByAAAAEAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHABQAAABrADBGAQwAIBAAACA AiBCAAACAAAgAAQIiIAAAKgIICKAkRGAIAAgkAAIihcQgIAOAAAAEAAAAAAAAAAgAAAAAAAAAAAA AA==
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  • Tel:86-25-83697070
  • Fax:86-25-83453275
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