Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed C   > CHEMBL279537
135410-20-7 structure

CHEMBL279537

Iupac Name:N-[(6-chloropyridin-3-yl)methyl]-N'-cyano-N-methylethanimidamide
CAS No.:135410-20-7
Molecular Weight:222.67400
Molecular Formula:C22H15BR2CLN2O (isomer)
Names and Identifiers
Synonyms

2h-pyran-2-one, 6-bromo-3-(phenylmethyl)- 3-benzyl-6-bromo-pyran-2-one bdbm50025560

Inchi
InChI=1S/C10H11ClN4/c1-8(14-7-12)15(2)6-9-3-4-10(11)13-5-9/h3-5H,6H2,1-2H3
InChkey
WCXDHFDTOYPNIE-UHFFFAOYSA-N
Canonical Smiles
CC(=NC#N)N(C)CC1=CN=C(C=C1)Cl
Properties
Melting Point
101-103ºC
Vapour
3.85E-05mmHg at 25°C
Refractive Index
1.57
HS Code
2933399022
Safety and Handling
Risk Statements
R23/25; R57
Safety Statements
S45
HazardClass
6.1(b)
PackingGroup
III
Transport
UN 2811
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 135410-20-7 EC: CHEMBL279537 ·ECHA C&L Inventory for CAS: CAS: 135410-20-7 EC: CHEMBL279537
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H412 Harmful to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

P273 Avoid release to the environment.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:222.67400g/mol
  • Molecular Formula:C22H15BR2CLN2O
  • Compound Is Canonicalized:True
  • Exact Mass:222.067
  • Monoisotopic Mass:222.067
  • Complexity:280
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:52.3A^2
  • Heavy Atom Count:15
  • 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: AAADccBzgAAEAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHAIAAAAADALBGiQ/gJMIEACw AjJnZACCgCExByAJ2CA4ZpgIIOLB25GEIAhggADIyAYQAAAMAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-571-87758773
  • Fax:86-571-86821328
  • Tel:86-27-111111
  • Fax:86-27-111111
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-21-61124658
  • Fax:86-21-61294103
  • Tel:86-188-74586545
  • Fax:86-27-83214668
  • Tel:+86-025-58535435
  • Fax:
  • Tel:86-1732-7098554
  • Fax:86-1732-7098554
  • Tel:86-27-88660577
  • Fax:86-27-88991911
  • Tel:86-755-33239182
  • Fax:86-755-33233381
Recommended Suppliers
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-571-87758773
  • Fax:86-571-86821328
  • Tel:86-27-111111
  • Fax:86-27-111111
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-21-61124658
  • Fax:86-21-61294103
  • Tel:86-188-74586545
  • Fax:86-27-83214668
  • Tel:+86-025-58535435
  • Fax:
  • Tel:86-1732-7098554
  • Fax:86-1732-7098554
  • Tel:86-27-88660577
  • Fax:86-27-88991911
  • Tel:86-755-33239182
  • Fax:86-755-33233381
 
<