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Home> Hot Product Listed S   > STK659271
74-87-3 structure

STK659271

Iupac Name:chloromethane
CAS No.:74-87-3
Molecular Weight:50.485
Molecular Formula:C16H19N3O3S (isomer)
Names and Identifiers
Synonyms

7-(3-hydroxy-4-methoxyphenyl)-2-(piperidin-1-yl)-4h,6h,7h-[1,3]thiazolo[4,5-b]pyridin-5-one 7-(3-hydroxy-4-methoxyphenyl)-2-(piperidin-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-b]pyridin-5-ol AKOS005589652 AKOS032408361 MCULE-2129604897 MOLPORT-008-320-356 MOLPORT-008-353-837 STOCK6S-89931

Inchi
InChI=1S/CH3Cl/c1-2/h1H3
InChkey
NEHMKBQYUWJMIP-UHFFFAOYSA-N
Canonical Smiles
CCl
Properties
Melting Point
-97 oC
Refractive Index
1.0007
HS Code
2903110000
Safety and Handling
Risk Statements
R12
Safety Statements
9-16-33
HazardClass
2.1
Hazard Note
H220; H280; H351; H361fd; H373
PackingGroup
O52
Transport
UN 1993 3
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Gases under pressure: Compressed gas

Flammable gases, Category 1

Carcinogenicity, Category 2

Specific target organ toxicity \u2013 repeated exposure, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H220 Extremely flammable gas

H351 Suspected of causing cancer

Precautionary statement(s)
Prevention

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

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

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

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

Response

P377 Leaking gas fire: Do not extinguish, unless leak can be stopped safely.

P381 In case of leakage, eliminate all ignition sources.

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

P314 Get medical advice/attention if you feel unwell.

Storage

P410+P403 Protect from sunlight. Store in a well-ventilated place.

P403 Store in a well-ventilated place.

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:50.485g/mol
  • Molecular Formula:C16H19N3O3S
  • Compound Is Canonicalized:True
  • Exact Mass:49.992
  • Monoisotopic Mass:49.992
  • Complexity:2
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:0A^2
  • Heavy Atom Count:2
  • 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: AAADcQAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAIAAAAAAAAAAEACAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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