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Home> Encyclopedia > Hot Product Listed 5   > 5-Thiazolecarboxamide,N-(2-bromo-4-chloro-6-nitrophenyl)-2-chloro-4-(trifluoromethyl)-
872-31-1 structure

5-Thiazolecarboxamide,N-(2-bromo-4-chloro-6-nitrophenyl)-2-chloro-4-(trifluoromethyl)-

Iupac Name:3-bromothiophene
CAS No.:872-31-1
Molecular Weight:163.03562
Molecular Formula:C23H22CLN3 (isomer)
Names and Identifiers
Synonyms

5-thiazolecarboxamide, n-(2-bromo-4-chloro-6-nitrophenyl)-2-chloro-4-(trifluoromethyl)- AC1L44WE DTXSID0073873 HE114107 n-(2-bromo-4-chloro-6-nitrophenyl)-2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

Inchi
InChI=1/C4H3BrS/c5-4-1-2-6-3-4/h1-3H
InChkey
XCMISAPCWHTVNG-UHFFFAOYSA-N
Canonical Smiles
C1=CSC=C1Br
Properties
Density
1.2
Melting Point
-10℃
Refractive Index
1.5905-1.5925
Flash Point
137.5°C
HS Code
29349990
Safety and Handling
Risk Statements
R10;R23/24/25;R36/37/38;R51/53
Safety Statements
16;26;28;36/37/39;38;45;61
HazardClass
6.1
PackingGroup
II
Transport
UN 1993
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 3

Acute toxicity - Oral, Category 3

Acute toxicity - Dermal, Category 2

Skin irritation, Category 2

Eye irritation, Category 2

Acute toxicity - Inhalation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H226 Flammable liquid and vapour

H301 Toxic if swallowed

H310 Fatal in contact with skin

H315 Causes skin irritation

H319 Causes serious eye irritation

H330 Fatal if inhaled

H335 May cause respiratory irritation

H411 Toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.

P233 Keep container tightly closed.

P240 Ground and bond container and receiving equipment.

P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment.

P242 Use non-sparking tools.

P243 Take action to prevent static discharges.

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

P264 Wash ... thoroughly after handling.

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

P262 Do not get in eyes, on skin, or on clothing.

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

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

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

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

P273 Avoid release to the environment.

Response

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

P370+P378 In case of fire: Use ... to extinguish.

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/...

P310 Immediately call a POISON CENTER/doctor/\u2026

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

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.

P320 Specific treatment is urgent (see ... on this label).

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

P391 Collect spillage.

Storage

P403+P235 Store in a well-ventilated place. Keep cool.

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

Computational chemical data
  • Molecular Weight:163.03562g/mol
  • Molecular Formula:C23H22CLN3
  • XLogP3-AA:2.6
  • Exact Mass:161.913883
  • Monoisotopic Mass:161.913883
  • Complexity:46.8
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:28.2
  • 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
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