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Home> Hot Product Listed C   > cyclohexyl 2-chloro-5-{[(2-chlorophenyl)carbonothioyl]amino}benzoate
1277-47-0 structure

cyclohexyl 2-chloro-5-{[(2-chlorophenyl)carbonothioyl]amino}benzoate

Iupac Name:cyclopenta-1,3-diene;vanadium(2+)
CAS No.:1277-47-0
Molecular Weight:181.131
Molecular Formula:C15H18CLNO5S (isomer)
Names and Identifiers
Synonyms

AC1MHDGC benzoic acid, 2-chloro-5-(((2-chlorophenyl)thioxomethyl)amino)-, cyclohexyl ester benzoic acid, 2-chloro-5-[[(2-chlorophenyl)thioxomethyl]amino]-, cyclohexyl ester benzoicacid,2-chloro-5-[[(2-chlorophenyl)thioxomethyl]amino]-,cyclohexylester CHEMBL101289 cyclohexyl 2-chloro-5-[(2-chlorobenzenecarbothioyl)amino]benzoate cyclohexyl 2-chloro-5-{[(2-chlorophenyl)carbothioyl]amino}benzoate DTXSID90159556 OR215445

Inchi
InChI=1S/2C5H5.V/c2*1-2-4-5-3-1;/h2*1-3H,4H2;/q2*-1;+2
InChkey
KTKDULBCFYEWFV-UHFFFAOYSA-N
Canonical Smiles
C1C=CC=[C-]1.C1C=CC=[C-]1.[V+2]
Properties
Density
1.406
Melting Point
165-167℃
Boiling Point
458.2°C at 760 mmHg
Flash Point
270°C
Safety and Handling
Risk Statements
R11;R23/24/25;R36/37/38
Safety Statements
S16;S26;S28;S36/37/39;S38;S45
HazardClass
4.1
Hazard Note
H228; H301; H311; H315; H319; H331; H335
PackingGroup
III
Transport
UN 2926 4
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable solids, Category 2

Acute toxicity - Oral, Category 3

Acute toxicity - Dermal, Category 3

Skin irritation, Category 2

Eye irritation, Category 2

Acute toxicity - Inhalation, Category 3

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H228 Flammable solid

H301 Toxic if swallowed

H311 Toxic in contact with skin

H315 Causes skin irritation

H319 Causes serious eye irritation

H331 Toxic if inhaled

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

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

P240 Ground and bond container and receiving equipment.

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

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.

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

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

Response

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/...

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

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.

P311 Call a POISON CENTER/doctor/\u2026

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

Computational chemical data
  • Molecular Weight:181.131g/mol
  • Molecular Formula:C15H18CLNO5S
  • Compound Is Canonicalized:True
  • Exact Mass:181.022
  • Monoisotopic Mass:181.022
  • Complexity:163
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:0A^2
  • Heavy Atom Count:11
  • 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:3
  • CACTVS Substructure Key Fingerprint: AAADccBwAAAAAAEAAAAAAAAAAAAAAQIAAAAAAAAAAAAAAAAAAAAAGAAAAAAACACAAAAAAAAAAACA ACBCAAAAAAAgAAAICAAAAAgIAAAAAQAAAAAAAAAIgAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:+86-21-62960152,61525205,61538832,61538837
  • Fax:
  • Tel:+7-(8312)-75-37-72
  • Fax:+7-(8312)-75-07-99
  • Tel:49-3493-605465
  • Fax:49-3493-605470
  • Tel:+7-(8312)-75-37-72
  • Fax:+7-(8312)-75-07-99
 
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