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Home> Hot Product Listed A   > AKOS005256017
693-98-1 structure

AKOS005256017

CAS No.:693-98-1
Molecular Weight:82.10384
Molecular Formula:C14H17N5OS (isomer)
Names and Identifiers
Synonyms

1-(1,1-difluoroethyl)-2-(trifluoromethyl)benzene CTK6A5744 SCHEMBL15998876 TR-057150 ZINC66330561

Inchi
InChI=1/C4H6N2/c1-4-5-2-3-6-4/h2-3H,1H3,(H,5,6)
InChkey
LXBGSDVWAMZHDD-UHFFFAOYSA-N
Canonical Smiles
CC1=NC=CN1
Properties
Melting Point
142-145℃
Refractive Index
1.523
HS Code
29332990
Safety and Handling
Risk Statements
R22;R34
Safety Statements
S25;S36/37/39;S45
HazardClass
8
PackingGroup
III
Transport
UN 3259 8/PG 2
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
INTERMEDIATE INDIVIDUAL INTERMEDIATE_USE_ONLY view >
INTERMEDIATE INDIVIDUAL INTERMEDIATE_USE_ONLY view >
FULL JOINT 10PLUS view >
Registered companies:
Registrant / Supplier details Latest dossier received
REACH24H CONSULTING GROUP 2015
BASF SE 2014
TEVA Pharmaceutical Works Private Ltd. Co. 2013
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin corrosion, Category 1C

Serious eye damage, Category 1

Carcinogenicity, Category 2

Reproductive toxicity, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H314 Causes severe skin burns and eye damage

H351 Suspected of causing cancer

H360 May damage fertility or the unborn child

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

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

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

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.

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

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:82.10384g/mol
  • Molecular Formula:C14H17N5OS
  • XLogP3-AA:0.2
  • Exact Mass:82.053098
  • Monoisotopic Mass:82.053098
  • Complexity:44.8
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:28.7
  • 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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Recommended Suppliers
  • Tel:86-519-85109358
  • Fax:86-519-85109368
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-571-87758773
  • Fax:86-571-86821328
  • Tel:86-27-111111111111
  • Fax:86-27-11111111111111
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
 
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